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]+ 190.159026 140.2
[M+Na]+ 212.140968 143.9
[M-H]- 188.144474 144.6
[M+NH4]+ 207.185573 159.1
[M+K]+ 228.114908 144.6
[M+H-H2O]+ 172.149010 135.3
[M+HCOO]- 234.149951 160.2
[M+CH3COO]- 248.165601 151.7
[M+Na-2H]- 210.126416 145.9
[M]+ 189.15120142 133.3
[M]- 189.15229858 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.