CID 74840

2018-66-8

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKey
USPFMEKVPDBMCG-LBPRGKRZSA-N
Compound name
(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2131
Patents

265.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 162.3
[M+Na]+ 288.12062 170.1
[M+NH4]+ 283.16522 167.4
[M+K]+ 304.09456 166.8
[M-H]- 264.12412 161.7
[M+Na-2H]- 286.10607 165.2
[M]+ 265.13085 162.7
[M]- 265.13195 162.7
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