CID 38916

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

Structural Information

Molecular Formula
C13H19N
SMILES
C1CCC2=C(CC1)C=C(C=C2)CCN
InChI
InChI=1S/C13H19N/c14-9-8-11-6-7-12-4-2-1-3-5-13(12)10-11/h6-7,10H,1-5,8-9,14H2
InChIKey
UWCYFUCELGYLAU-UHFFFAOYSA-N
Compound name
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.2
[M+Na]+ 212.14097 143.9
[M-H]- 188.14447 144.6
[M+NH4]+ 207.18557 159.1
[M+K]+ 228.11491 144.6
[M+H-H2O]+ 172.14901 135.3
[M+HCOO]- 234.14995 160.2
[M+CH3COO]- 248.16560 151.7
[M+Na-2H]- 210.12642 145.9
[M]+ 189.15120 133.3
[M]- 189.15230 133.3
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.