CID 38922

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

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)(CC1=CC2=C(CCCCC2)C=C1)N
InChI
InChI=1S/C15H23N/c1-15(2,16)11-12-8-9-13-6-4-3-5-7-14(13)10-12/h8-10H,3-7,11,16H2,1-2H3
InChIKey
XVWLSQZLUFKSIW-UHFFFAOYSA-N
Compound name
2-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

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 149.0
[M+Na]+ 240.17226 152.4
[M-H]- 216.17576 153.4
[M+NH4]+ 235.21686 167.1
[M+K]+ 256.14620 153.2
[M+H-H2O]+ 200.18030 144.4
[M+HCOO]- 262.18124 167.0
[M+CH3COO]- 276.19689 194.3
[M+Na-2H]- 238.15771 154.3
[M]+ 217.18249 142.4
[M]- 217.18359 142.4
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.