CID 145874618

2375247-61-1

Structural Information

Molecular Formula
C11H14N2O4
SMILES
COC(=O)[C@@H](C1=CC=C(C=C1)O)NC(=O)CN
InChI
InChI=1S/C11H14N2O4/c1-17-11(16)10(13-9(15)6-12)7-2-4-8(14)5-3-7/h2-5,10,14H,6,12H2,1H3,(H,13,15)/t10-/m1/s1
InChIKey
MTUQNXMZBMWXEB-SNVBAGLBSA-N
Compound name
methyl (2R)-2-[(2-aminoacetyl)amino]-2-(4-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 153.2
[M+Na]+ 261.08457 160.8
[M+NH4]+ 256.12917 158.2
[M+K]+ 277.05851 158.2
[M-H]- 237.08807 153.0
[M+Na-2H]- 259.07002 156.2
[M]+ 238.09480 153.6
[M]- 238.09590 153.6
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.