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]+ 237.12337 153.5
[M+Na]+ 259.10531 157.8
[M-H]- 235.10881 155.4
[M+NH4]+ 254.14991 169.6
[M+K]+ 275.07925 156.2
[M+H-H2O]+ 219.11335 147.1
[M+HCOO]- 281.11429 175.1
[M+CH3COO]- 295.12994 192.9
[M+Na-2H]- 257.09076 158.6
[M]+ 236.11554 152.0
[M]- 236.11664 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.