CID 21330641

Decahydro-1h-1-benzazepine hydrochloride

Structural Information

Molecular Formula
C10H19N
SMILES
C1CCC2C(C1)CCCCN2
InChI
InChI=1S/C10H19N/c1-2-7-10-9(5-1)6-3-4-8-11-10/h9-11H,1-8H2
InChIKey
CFCCVPRUHJVDLO-UHFFFAOYSA-N
Compound name
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

153.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.15903 132.1
[M+Na]+ 176.14097 133.6
[M-H]- 152.14447 133.3
[M+NH4]+ 171.18557 150.3
[M+K]+ 192.11491 134.3
[M+H-H2O]+ 136.14901 126.3
[M+HCOO]- 198.14995 145.8
[M+CH3COO]- 212.16560 142.2
[M+Na-2H]- 174.12642 137.2
[M]+ 153.15120 120.0
[M]- 153.15230 120.0
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