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: 29
Patents: 192.08987 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.09715	138.4
[M+Na]+	215.07909	142.6
[M-H]-	191.08259	141.2
[M+NH4]+	210.12369	154.9
[M+K]+	231.05303	140.3
[M+H-H2O]+	175.08713	136.9
[M+HCOO]-	237.08807	157.5
[M+CH3COO]-	251.10372	177.0
[M+Na-2H]-	213.06454	146.7
[M]+	192.08932	130.0
[M]-	192.09042	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe