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

2766
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

literature stripe

Patent stripe

patents stripe