CID 38924

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

Structural Information

Molecular Formula
C16H25N
SMILES
CC(C)(CC1=CC2=C(CCCCC2)C=C1)NC
InChI
InChI=1S/C16H25N/c1-16(2,17-3)12-13-9-10-14-7-5-4-6-8-15(14)11-13/h9-11,17H,4-8,12H2,1-3H3
InChIKey
PBCXRMABBWSJPB-UHFFFAOYSA-N
Compound name
N,2-dimethyl-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

231.1987 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 153.3
[M+Na]+ 254.18792 156.2
[M-H]- 230.19142 157.9
[M+NH4]+ 249.23252 171.0
[M+K]+ 270.16186 157.0
[M+H-H2O]+ 214.19596 148.4
[M+HCOO]- 276.19690 171.5
[M+CH3COO]- 290.21255 197.8
[M+Na-2H]- 252.17337 159.0
[M]+ 231.19815 147.9
[M]- 231.19925 147.9
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.