CID 15887753

740842-79-9

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CCNC2=C(C1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c13-12(14)9-4-5-10-8(7-9)3-1-2-6-11-10/h4-5,7,11H,1-3,6H2
InChIKey
HWOWTNBPVSVMNF-UHFFFAOYSA-N
Compound name
7-nitro-2,3,4,5-tetrahydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

192.08987 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.097146 138.4
[M+Na]+ 215.079088 142.6
[M-H]- 191.082594 141.2
[M+NH4]+ 210.123693 154.9
[M+K]+ 231.053028 140.3
[M+H-H2O]+ 175.087130 136.9
[M+HCOO]- 237.088071 157.5
[M+CH3COO]- 251.103721 177.0
[M+Na-2H]- 213.064536 146.7
[M]+ 192.08932142 130.0
[M]- 192.09041858 130.0
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