CID 129932218

2253629-68-2

Structural Information

Molecular Formula
C11H15NO
SMILES
CC1CNCCC2=C1C=C(C=C2)O
InChI
InChI=1S/C11H15NO/c1-8-7-12-5-4-9-2-3-10(13)6-11(8)9/h2-3,6,8,12-13H,4-5,7H2,1H3
InChIKey
BPZJXPSWBMCBSH-UHFFFAOYSA-N
Compound name
5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 135.5
[M+Na]+ 200.10459 141.0
[M-H]- 176.10809 137.2
[M+NH4]+ 195.14919 153.2
[M+K]+ 216.07853 141.4
[M+H-H2O]+ 160.11263 130.4
[M+HCOO]- 222.11357 152.0
[M+CH3COO]- 236.12922 146.9
[M+Na-2H]- 198.09004 141.4
[M]+ 177.11482 128.3
[M]- 177.11592 128.3
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

No patent data available for this compound.