CID 3046873

5h-benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CNC1CCC2=CC=CC=C2CC1
InChI
InChI=1S/C12H17N/c1-13-12-8-6-10-4-2-3-5-11(10)7-9-12/h2-5,12-13H,6-9H2,1H3
InChIKey
QOMRCGSWQVHVLT-UHFFFAOYSA-N
Compound name
N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.1361 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 135.5
[M+Na]+ 198.12532 139.6
[M-H]- 174.12882 140.6
[M+NH4]+ 193.16992 155.2
[M+K]+ 214.09926 140.8
[M+H-H2O]+ 158.13336 130.8
[M+HCOO]- 220.13430 156.5
[M+CH3COO]- 234.14995 147.7
[M+Na-2H]- 196.11077 142.7
[M]+ 175.13555 129.2
[M]- 175.13665 129.2
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

patents stripe