CID 42256175

40610-41-1

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC(C)(C)C(=O)N[C@H](C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C13H17NO3/c1-13(2,3)12(17)14-10(11(15)16)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,14,17)(H,15,16)/t10-/m1/s1
InChIKey
UYMYKMRRCXEIRJ-SNVBAGLBSA-N
Compound name
(2R)-2-(2,2-dimethylpropanoylamino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

235.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.0
[M+Na]+ 258.11007 158.7
[M-H]- 234.11357 156.0
[M+NH4]+ 253.15467 170.6
[M+K]+ 274.08401 157.3
[M+H-H2O]+ 218.11811 148.2
[M+HCOO]- 280.11905 173.4
[M+CH3COO]- 294.13470 191.7
[M+Na-2H]- 256.09552 157.1
[M]+ 235.12030 153.1
[M]- 235.12140 153.1
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