CID 38920

5h-benzocycloheptene-2-ethanamine, 6,7,8,9-tetrahydro-n,alpha-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CC(CC1=CC2=C(CCCCC2)C=C1)NC
InChI
InChI=1S/C15H23N/c1-12(16-2)10-13-8-9-14-6-4-3-5-7-15(14)11-13/h8-9,11-12,16H,3-7,10H2,1-2H3
InChIKey
ZBZGWBSRILWBHK-UHFFFAOYSA-N
Compound name
N-methyl-1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.18304 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 148.8
[M+Na]+ 240.172258 151.5
[M-H]- 216.175764 153.4
[M+NH4]+ 235.216863 166.9
[M+K]+ 256.146198 152.5
[M+H-H2O]+ 200.180300 143.7
[M+HCOO]- 262.181241 167.9
[M+CH3COO]- 276.196891 195.4
[M+Na-2H]- 238.157706 153.3
[M]+ 217.18249142 142.9
[M]- 217.18358858 142.9
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.