CID 24773900

8-methoxy-1-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1CNCCC2=C1C=C(C=C2)OC
InChI
InChI=1S/C12H17NO/c1-9-8-13-6-5-10-3-4-11(14-2)7-12(9)10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKey
VCCXGIDBLWAVNF-UHFFFAOYSA-N
Compound name
7-methoxy-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 139.1
[M+Na]+ 214.12023 144.6
[M-H]- 190.12373 141.9
[M+NH4]+ 209.16483 156.9
[M+K]+ 230.09417 145.5
[M+H-H2O]+ 174.12827 133.6
[M+HCOO]- 236.12921 156.7
[M+CH3COO]- 250.14486 150.7
[M+Na-2H]- 212.10568 144.9
[M]+ 191.13046 134.0
[M]- 191.13156 134.0
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