CID 10942966

74761-42-5

Structural Information

Molecular Formula
C7H13NO4
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)OC
InChI
InChI=1S/C7H13NO4/c1-4(2)5(6(9)10)8-7(11)12-3/h4-5H,1-3H3,(H,8,11)(H,9,10)/t5-/m0/s1
InChIKey
CEFVHPDFGLDQKU-YFKPBYRVSA-N
Compound name
(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1682
Patents

175.08446 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 138.5
[M+Na]+ 198.07368 144.9
[M+NH4]+ 193.11828 143.4
[M+K]+ 214.04762 143.6
[M-H]- 174.07718 135.3
[M+Na-2H]- 196.05913 138.8
[M]+ 175.08391 137.8
[M]- 175.08501 137.8
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