CID 1241470

(2s)-2-[(4-chlorophenyl)formamido]propanoic acid

Structural Information

Molecular Formula
C10H10ClNO3
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H10ClNO3/c1-6(10(14)15)12-9(13)7-2-4-8(11)5-3-7/h2-6H,1H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKey
SSHYAHPMLSAGGG-LURJTMIESA-N
Compound name
(2S)-2-[(4-chlorobenzoyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

227.03493 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.04221 145.8
[M+Na]+ 250.02415 153.0
[M-H]- 226.02765 148.3
[M+NH4]+ 245.06875 163.7
[M+K]+ 265.99809 149.8
[M+H-H2O]+ 210.03219 141.0
[M+HCOO]- 272.03313 163.3
[M+CH3COO]- 286.04878 188.0
[M+Na-2H]- 248.00960 148.5
[M]+ 227.03438 146.9
[M]- 227.03548 146.9
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

patents stripe