CID 15496954

8-methoxy-2,3,4,5-tetrahydro-1h-benzo[c]azepine

Structural Information

Molecular Formula
C11H15NO
SMILES
COC1=CC2=C(CCCNC2)C=C1
InChI
InChI=1S/C11H15NO/c1-13-11-5-4-9-3-2-6-12-8-10(9)7-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKey
JKOHVMHTUKORNK-UHFFFAOYSA-N
Compound name
8-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

177.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 134.9
[M+Na]+ 200.10459 139.9
[M-H]- 176.10809 137.4
[M+NH4]+ 195.14919 152.9
[M+K]+ 216.07853 140.9
[M+H-H2O]+ 160.11263 129.4
[M+HCOO]- 222.11357 152.8
[M+CH3COO]- 236.12922 146.6
[M+Na-2H]- 198.09004 141.9
[M]+ 177.11482 129.0
[M]- 177.11592 129.0
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