CID 16789058

929473-53-0

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)(C(=O)O)NC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C12H16N2O3/c1-12(2,10(15)16)14-11(17)13-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKey
IWIJRNCRLISFCW-UHFFFAOYSA-N
Compound name
2-(benzylcarbamoylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.5
[M+Na]+ 259.105308 157.8
[M-H]- 235.108814 155.4
[M+NH4]+ 254.149913 169.6
[M+K]+ 275.079248 156.2
[M+H-H2O]+ 219.113350 147.1
[M+HCOO]- 281.114291 175.1
[M+CH3COO]- 295.129941 192.9
[M+Na-2H]- 257.090756 158.6
[M]+ 236.11554142 152.0
[M]- 236.11663858 152.0
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.