CID 28378062

74761-39-0

Structural Information

Molecular Formula
C8H15NO4
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC
InChI
InChI=1S/C8H15NO4/c1-4-5(2)6(7(10)11)9-8(12)13-3/h5-6H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-,6-/m0/s1
InChIKey
LVKROKMNCYTCHK-WDSKDSINSA-N
Compound name
(2S,3S)-2-(methoxycarbonylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
Patents

189.10011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.8
[M+Na]+ 212.08933 149.0
[M+NH4]+ 207.13393 147.6
[M+K]+ 228.06327 147.5
[M-H]- 188.09283 139.5
[M+Na-2H]- 210.07478 142.9
[M]+ 189.09956 142.1
[M]- 189.10066 142.1
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