CID 409322

2-aminohexadecanoic acid

Structural Information

Molecular Formula
C16H33NO2
SMILES
CCCCCCCCCCCCCCC(C(=O)O)N
InChI
InChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)
InChIKey
XELWBYCKQCNAGY-UHFFFAOYSA-N
Compound name
2-aminohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

375
Patents

271.25113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.258406 175.2
[M+Na]+ 294.240348 176.7
[M-H]- 270.243854 171.6
[M+NH4]+ 289.284953 190.2
[M+K]+ 310.214288 173.8
[M+H-H2O]+ 254.248390 168.5
[M+HCOO]- 316.249331 193.2
[M+CH3COO]- 330.264981 203.6
[M+Na-2H]- 292.225796 172.9
[M]+ 271.25058142 177.3
[M]- 271.25167858 177.3
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