CID 41728

7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine hydrochloride

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC2=C(C=C1C)OCCCC2N
InChI
InChI=1S/C12H17NO/c1-8-6-10-11(13)4-3-5-14-12(10)7-9(8)2/h6-7,11H,3-5,13H2,1-2H3
InChIKey
JBBXKPIMMMOKIJ-UHFFFAOYSA-N
Compound name
7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.0
[M+Na]+ 214.12023 152.7
[M+NH4]+ 209.16483 150.6
[M+K]+ 230.09417 147.9
[M-H]- 190.12373 146.5
[M+Na-2H]- 212.10568 147.1
[M]+ 191.13046 144.9
[M]- 191.13156 144.9
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.