CID 11075454

N-lactoyl-phenylalanine

Structural Information

Molecular Formula
C12H15NO4
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)O
InChI
InChI=1S/C12H15NO4/c1-8(14)11(15)13-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1
InChIKey
IIRJJZHHNGABMQ-WPRPVWTQSA-N
Compound name
(2S)-2-[[(2S)-2-hydroxypropanoyl]amino]-3-phenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

52
Patents

237.10011 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.8
[M+Na]+ 260.08933 157.5
[M-H]- 236.09283 154.2
[M+NH4]+ 255.13393 169.1
[M+K]+ 276.06327 156.1
[M+H-H2O]+ 220.09737 147.4
[M+HCOO]- 282.09831 172.6
[M+CH3COO]- 296.11396 189.7
[M+Na-2H]- 258.07478 154.7
[M]+ 237.09956 152.0
[M]- 237.10066 152.0
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