CID 39352

42882-78-0

Structural Information

Molecular Formula
C13H19N
SMILES
CC(C1=CC2=C(CCCCC2)C=C1)N
InChI
InChI=1S/C13H19N/c1-10(14)12-8-7-11-5-3-2-4-6-13(11)9-12/h7-10H,2-6,14H2,1H3
InChIKey
RWPGPKAVHQZSMH-UHFFFAOYSA-N
Compound name
1-(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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 140.1
[M+Na]+ 212.140968 143.6
[M-H]- 188.144474 144.6
[M+NH4]+ 207.185573 159.0
[M+K]+ 228.114908 144.9
[M+H-H2O]+ 172.149010 135.4
[M+HCOO]- 234.149951 159.2
[M+CH3COO]- 248.165601 189.0
[M+Na-2H]- 210.126416 144.7
[M]+ 189.15120142 132.6
[M]- 189.15229858 132.6
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.