CID 14089202

2,3-dihydro-1h-1-benzazepine hydrochloride

Structural Information

Molecular Formula
C10H11N
SMILES
C1CNC2=CC=CC=C2C=C1
InChI
InChI=1S/C10H11N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h1-3,5-7,11H,4,8H2
InChIKey
WSSWXGZEJNNFSN-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-1-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

661
Patents

145.08914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 126.0
[M+Na]+ 168.07836 131.7
[M-H]- 144.08186 128.7
[M+NH4]+ 163.12296 145.1
[M+K]+ 184.05230 132.0
[M+H-H2O]+ 128.08640 120.9
[M+HCOO]- 190.08734 145.4
[M+CH3COO]- 204.10299 138.5
[M+Na-2H]- 166.06381 135.2
[M]+ 145.08859 119.5
[M]- 145.08969 119.5
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