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]+ 190.15903 140.1
[M+Na]+ 212.14097 143.6
[M-H]- 188.14447 144.6
[M+NH4]+ 207.18557 159.0
[M+K]+ 228.11491 144.9
[M+H-H2O]+ 172.14901 135.4
[M+HCOO]- 234.14995 159.2
[M+CH3COO]- 248.16560 189.0
[M+Na-2H]- 210.12642 144.7
[M]+ 189.15120 132.6
[M]- 189.15230 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.