CID 66022

Trihexylamine

Structural Information

Molecular Formula
C18H39N
SMILES
CCCCCCN(CCCCCC)CCCCCC
InChI
InChI=1S/C18H39N/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
DIAIBWNEUYXDNL-UHFFFAOYSA-N
Compound name
N,N-dihexylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

24930
Patents

269.30826 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.315536 178.1
[M+Na]+ 292.297478 179.6
[M-H]- 268.300984 177.5
[M+NH4]+ 287.342083 195.2
[M+K]+ 308.271418 177.6
[M+H-H2O]+ 252.305520 170.8
[M+HCOO]- 314.306461 199.4
[M+CH3COO]- 328.322111 211.9
[M+Na-2H]- 290.282926 178.1
[M]+ 269.30771142 184.4
[M]- 269.30880858 184.4
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