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]+ 218.19032 148.8
[M+Na]+ 240.17226 151.5
[M-H]- 216.17576 153.4
[M+NH4]+ 235.21686 166.9
[M+K]+ 256.14620 152.5
[M+H-H2O]+ 200.18030 143.7
[M+HCOO]- 262.18124 167.9
[M+CH3COO]- 276.19689 195.4
[M+Na-2H]- 238.15771 153.3
[M]+ 217.18249 142.9
[M]- 217.18359 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.