CID 9835576

N-dodecanoyl-l-serine

Structural Information

Molecular Formula
C15H29NO4
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-11-14(18)16-13(12-17)15(19)20/h13,17H,2-12H2,1H3,(H,16,18)(H,19,20)/t13-/m0/s1
InChIKey
XGFQVJQXCLZRFH-ZDUSSCGKSA-N
Compound name
(2S)-2-(dodecanoylamino)-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

220
Patents

287.20966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.216936 175.0
[M+Na]+ 310.198878 176.4
[M-H]- 286.202384 170.8
[M+NH4]+ 305.243483 188.6
[M+K]+ 326.172818 174.3
[M+H-H2O]+ 270.206920 168.4
[M+HCOO]- 332.207861 192.1
[M+CH3COO]- 346.223511 202.1
[M+Na-2H]- 308.184326 172.7
[M]+ 287.20911142 177.2
[M]- 287.21020858 177.2
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