CID 69525

Triisopentylamine

Structural Information

Molecular Formula
C15H33N
SMILES
CC(C)CCN(CCC(C)C)CCC(C)C
InChI
InChI=1S/C15H33N/c1-13(2)7-10-16(11-8-14(3)4)12-9-15(5)6/h13-15H,7-12H2,1-6H3
InChIKey
QKVUSSUOYHTOFQ-UHFFFAOYSA-N
Compound name
3-methyl-N,N-bis(3-methylbutyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1385
Patents

227.2613 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.26858 163.0
[M+Na]+ 250.25052 170.7
[M+NH4]+ 245.29512 170.3
[M+K]+ 266.22446 164.9
[M-H]- 226.25402 163.3
[M+Na-2H]- 248.23597 164.6
[M]+ 227.26075 164.0
[M]- 227.26185 164.0
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