CID 3814679

N-(3-oxo-3-phenylpropyl)-dl-serine

Structural Information

Molecular Formula
C12H15NO4
SMILES
C1=CC=C(C=C1)C(=O)CCNC(CO)C(=O)O
InChI
InChI=1S/C12H15NO4/c14-8-10(12(16)17)13-7-6-11(15)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,16,17)
InChIKey
QALAPODICCFEHF-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(3-oxo-3-phenylpropyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10011 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 153.4
[M+Na]+ 260.08933 157.2
[M-H]- 236.09283 153.6
[M+NH4]+ 255.13393 168.6
[M+K]+ 276.06327 155.2
[M+H-H2O]+ 220.09737 146.7
[M+HCOO]- 282.09831 173.2
[M+CH3COO]- 296.11396 189.4
[M+Na-2H]- 258.07478 155.5
[M]+ 237.09956 152.2
[M]- 237.10066 152.2
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.