CID 12133

Triamylamine

Structural Information

Molecular Formula
C15H33N
SMILES
CCCCCN(CCCCC)CCCCC
InChI
InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3
InChIKey
OOHAUGDGCWURIT-UHFFFAOYSA-N
Compound name
N,N-dipentylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

30511
Patents

227.2613 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.26858 164.5
[M+Na]+ 250.25052 167.3
[M-H]- 226.25402 164.5
[M+NH4]+ 245.29512 183.3
[M+K]+ 266.22446 166.1
[M+H-H2O]+ 210.25856 157.8
[M+HCOO]- 272.25950 186.8
[M+CH3COO]- 286.27515 202.9
[M+Na-2H]- 248.23597 166.1
[M]+ 227.26075 169.6
[M]- 227.26185 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe