CID 215740

Dtxsid30957578

Structural Information

Molecular Formula
C11H14N4O2
SMILES
CN(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C=N1
InChI
InChI=1S/C11H14N4O2/c1-13(2)5-6-14-11-4-3-10(15(16)17)7-9(11)8-12-14/h3-4,7-8H,5-6H2,1-2H3
InChIKey
BHCKWNCABQSFOK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(5-nitroindazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

234.11168 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.118956 149.3
[M+Na]+ 257.100898 157.5
[M-H]- 233.104404 153.3
[M+NH4]+ 252.145503 167.0
[M+K]+ 273.074838 151.7
[M+H-H2O]+ 217.108940 145.8
[M+HCOO]- 279.109881 175.2
[M+CH3COO]- 293.125531 191.8
[M+Na-2H]- 255.086346 158.0
[M]+ 234.11113142 151.7
[M]- 234.11222858 151.7
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

patents stripe