CID 486206

Lauroylmethionine

Structural Information

Molecular Formula
C17H33NO3S
SMILES
CCCCCCCCCCCC(=O)N[C@@H](CCSC)C(=O)O
InChI
InChI=1S/C17H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-16(19)18-15(17(20)21)13-14-22-2/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKey
PFSGUIFKRGNSHV-HNNXBMFYSA-N
Compound name
(2S)-2-(dodecanoylamino)-4-methylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

331.2181 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22538 186.0
[M+Na]+ 354.20732 186.7
[M-H]- 330.21082 182.7
[M+NH4]+ 349.25192 199.0
[M+K]+ 370.18126 183.1
[M+H-H2O]+ 314.21536 178.6
[M+HCOO]- 376.21630 198.1
[M+CH3COO]- 390.23195 212.0
[M+Na-2H]- 352.19277 180.7
[M]+ 331.21755 191.5
[M]- 331.21865 191.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.