CID 41898

(+-)-6-methylamino-6,7,8,9-tetrahydro-5h-benzocycloheptene hydrochloride

Structural Information

Molecular Formula
C12H17N
SMILES
CNC1CCCC2=CC=CC=C2C1
InChI
InChI=1S/C12H17N/c1-13-12-8-4-7-10-5-2-3-6-11(10)9-12/h2-3,5-6,12-13H,4,7-9H2,1H3
InChIKey
IFIGRDWPVVUIFG-UHFFFAOYSA-N
Compound name
N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.9
[M+Na]+ 198.12532 147.3
[M+NH4]+ 193.16992 146.3
[M+K]+ 214.09926 141.3
[M-H]- 174.12882 140.8
[M+Na-2H]- 196.11077 143.9
[M]+ 175.13555 139.5
[M]- 175.13665 139.5
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.