CID 5468825

3,5,6,7-tetrahydro-s-indacen-1(2h)-one oxime

Structural Information

Molecular Formula
C12H13NO
SMILES
C1CC2=CC3=C(C=C2C1)/C(=N\O)/CC3
InChI
InChI=1S/C12H13NO/c14-13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12/h6-7,14H,1-5H2/b13-12-
InChIKey
WWSUHMFQLNZTPL-SEYXRHQNSA-N
Compound name
(NZ)-N-(3,5,6,7-tetrahydro-2H-s-indacen-1-ylidene)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.10700 140.0
[M+Na]+ 210.08894 150.4
[M+NH4]+ 205.13354 150.3
[M+K]+ 226.06288 146.9
[M-H]- 186.09244 143.0
[M+Na-2H]- 208.07439 144.1
[M]+ 187.09917 142.1
[M]- 187.10027 142.1
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.