CID 21859610

1-nitroso-2,3,4,5-tetrahydro-1h-1-benzazepine

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CCN(C2=CC=CC=C2C1)N=O
InChI
InChI=1S/C10H12N2O/c13-11-12-8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7H,3-4,6,8H2
InChIKey
NVBVRHNQZLTSOA-UHFFFAOYSA-N
Compound name
1-nitroso-2,3,4,5-tetrahydro-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 132.8
[M+Na]+ 199.08418 138.5
[M-H]- 175.08768 138.1
[M+NH4]+ 194.12878 151.7
[M+K]+ 215.05812 140.9
[M+H-H2O]+ 159.09222 126.3
[M+HCOO]- 221.09316 155.0
[M+CH3COO]- 235.10881 145.7
[M+Na-2H]- 197.06963 141.5
[M]+ 176.09441 128.8
[M]- 176.09551 128.8
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