CID 75991

Triisooctylamine

Structural Information

Molecular Formula
C24H51N
SMILES
CC(C)CCCCCN(CCCCCC(C)C)CCCCCC(C)C
InChI
InChI=1S/C24H51N/c1-22(2)16-10-7-13-19-25(20-14-8-11-17-23(3)4)21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3
InChIKey
YKGBNAGNNUEZQC-UHFFFAOYSA-N
Compound name
6-methyl-N,N-bis(6-methylheptyl)heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

2612
Patents

353.40216 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.40944 207.3
[M+Na]+ 376.39138 205.8
[M-H]- 352.39488 205.8
[M+NH4]+ 371.43598 220.8
[M+K]+ 392.36532 203.5
[M+H-H2O]+ 336.39942 199.2
[M+HCOO]- 398.40036 223.5
[M+CH3COO]- 412.41601 231.9
[M+Na-2H]- 374.37683 200.2
[M]+ 353.40161 213.9
[M]- 353.40271 213.9
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.