CID 294936

Z-aib-oh

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)(C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C12H15NO4/c1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKey
QKVCSJBBYNYZNM-UHFFFAOYSA-N
Compound name
2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

613
Patents

237.10011 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.6
[M+Na]+ 260.08933 157.7
[M-H]- 236.09283 154.6
[M+NH4]+ 255.13393 169.0
[M+K]+ 276.06327 156.6
[M+H-H2O]+ 220.09737 146.4
[M+HCOO]- 282.09831 173.4
[M+CH3COO]- 296.11396 189.9
[M+Na-2H]- 258.07478 157.4
[M]+ 237.09956 153.3
[M]- 237.10066 153.3
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