CID 41902

(+-)-6,7,8,9-tetrahydro-6-methyl-5h-benzocyclohepten-6-amine hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(CCCC2=CC=CC=C2C1)N
InChI
InChI=1S/C12H17N/c1-12(13)8-4-7-10-5-2-3-6-11(10)9-12/h2-3,5-6H,4,7-9,13H2,1H3
InChIKey
XCESSXGFNWLJPE-UHFFFAOYSA-N
Compound name
6-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 136.8
[M+Na]+ 198.12532 141.9
[M-H]- 174.12882 141.7
[M+NH4]+ 193.16992 158.1
[M+K]+ 214.09926 142.5
[M+H-H2O]+ 158.13336 132.2
[M+HCOO]- 220.13430 157.1
[M+CH3COO]- 234.14995 149.1
[M+Na-2H]- 196.11077 143.7
[M]+ 175.13555 129.7
[M]- 175.13665 129.7
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.