CID 19747191

2h-2-benzazepine

Structural Information

Molecular Formula
C10H9N
SMILES
C1=CC2=CC=CNC=C2C=C1
InChI
InChI=1S/C10H9N/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8,11H
InChIKey
XUUSYXJGMRQBKQ-UHFFFAOYSA-N
Compound name
2H-2-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

718
Patents

143.0735 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.080776 123.9
[M+Na]+ 166.062718 131.6
[M-H]- 142.066224 127.4
[M+NH4]+ 161.107323 143.3
[M+K]+ 182.036658 131.8
[M+H-H2O]+ 126.070760 119.1
[M+HCOO]- 188.071701 146.1
[M+CH3COO]- 202.087351 137.5
[M+Na-2H]- 164.048166 135.1
[M]+ 143.07295142 120.2
[M]- 143.07404858 120.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe