CID 24820112

(2r)-3-{[(benzylamino)carbonyl]amino}-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)NC[C@H](C(=O)O)O
InChI
InChI=1S/C11H14N2O4/c14-9(10(15)16)7-13-11(17)12-6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,15,16)(H2,12,13,17)/t9-/m1/s1
InChIKey
KGFDIRSBGRVEFZ-SECBINFHSA-N
Compound name
(2R)-3-(benzylcarbamoylamino)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 152.6
[M+Na]+ 261.08457 156.1
[M-H]- 237.08807 153.0
[M+NH4]+ 256.12917 167.5
[M+K]+ 277.05851 154.5
[M+H-H2O]+ 221.09261 145.6
[M+HCOO]- 283.09355 173.8
[M+CH3COO]- 297.10920 190.4
[M+Na-2H]- 259.07002 155.6
[M]+ 238.09480 150.1
[M]- 238.09590 150.1
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

No patent data available for this compound.