CID 2944809

84860-35-5

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)C(C(=O)O)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C12H16N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)
InChIKey
IIJAEFRNONKHQP-UHFFFAOYSA-N
Compound name
3-methyl-2-(phenylcarbamoylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

236.11609 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 155.0
[M+Na]+ 259.10531 162.4
[M+NH4]+ 254.14991 160.4
[M+K]+ 275.07925 159.4
[M-H]- 235.10881 155.2
[M+Na-2H]- 257.09076 158.5
[M]+ 236.11554 155.5
[M]- 236.11664 155.5
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