CID 129940189

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

Structural Information

Molecular Formula
C10H13NO
SMILES
C1CC2=CC=CC=C2NCC1O
InChI
InChI=1S/C10H13NO/c12-9-6-5-8-3-1-2-4-10(8)11-7-9/h1-4,9,11-12H,5-7H2
InChIKey
RLJMKTMJVWFUMN-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-1-benzazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.09972 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe