CID 81604

N-hexadecylpropane-1,3-diamine

Structural Information

Molecular Formula
C19H42N2
SMILES
CCCCCCCCCCCCCCCCNCCCN
InChI
InChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3
InChIKey
UKNVXIMLHBKVAE-UHFFFAOYSA-N
Compound name
N'-hexadecylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

531
Patents

298.3348 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.34208 184.2
[M+Na]+ 321.32402 184.2
[M-H]- 297.32752 181.2
[M+NH4]+ 316.36862 198.7
[M+K]+ 337.29796 180.1
[M+H-H2O]+ 281.33206 176.3
[M+HCOO]- 343.33300 205.0
[M+CH3COO]- 357.34865 215.6
[M+Na-2H]- 319.30947 183.8
[M]+ 298.33425 187.7
[M]- 298.33535 187.7
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