CID 18378645

2,3,4,5-tetrahydro-1h-1-benzazepin-5-ol

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC(C2=CC=CC=C2NC1)O
InChI
InChI=1S/C10H13NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,10-12H,3,6-7H2
InChIKey
DNCKQRQKWJCPMQ-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1-benzazepin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

163.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 131.2
[M+Na]+ 186.08894 136.2
[M-H]- 162.09244 132.6
[M+NH4]+ 181.13354 149.1
[M+K]+ 202.06288 136.7
[M+H-H2O]+ 146.09698 126.1
[M+HCOO]- 208.09792 148.0
[M+CH3COO]- 222.11357 142.6
[M+Na-2H]- 184.07439 138.3
[M]+ 163.09917 123.3
[M]- 163.10027 123.3
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