CID 6914388

S-indacen-1(2h)-one, 3,5,6,7-tetrahydro-, o-(2-(dimethylamino)ethyl)oxime, monohydrochloride

Structural Information

Molecular Formula
C16H22N2O
SMILES
CN(C)CCO/N=C\1/CCC2=C1C=C3CCCC3=C2
InChI
InChI=1S/C16H22N2O/c1-18(2)8-9-19-17-16-7-6-14-10-12-4-3-5-13(12)11-15(14)16/h10-11H,3-9H2,1-2H3/b17-16-
InChIKey
IUXNDJNNCBHAEL-MSUUIHNZSA-N
Compound name
N,N-dimethyl-2-[(Z)-3,5,6,7-tetrahydro-2H-s-indacen-1-ylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 161.5
[M+Na]+ 281.162438 167.2
[M-H]- 257.165944 169.0
[M+NH4]+ 276.207043 184.7
[M+K]+ 297.136378 164.8
[M+H-H2O]+ 241.170480 154.8
[M+HCOO]- 303.171421 186.4
[M+CH3COO]- 317.187071 206.8
[M+Na-2H]- 279.147886 164.1
[M]+ 258.17267142 163.1
[M]- 258.17376858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.