CID 10538431

137130-65-5

Structural Information

Molecular Formula
C10H17NO6
SMILES
CC(C)(C)OC(=O)N[C@H](CC(=O)O)C(=O)OC
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(5-7(12)13)8(14)16-4/h6H,5H2,1-4H3,(H,11,15)(H,12,13)/t6-/m1/s1
InChIKey
IWFIVTBTZUCTQH-ZCFIWIBFSA-N
Compound name
(3R)-4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

189
Patents

247.10559 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 153.7
[M+Na]+ 270.09481 158.3
[M-H]- 246.09831 152.4
[M+NH4]+ 265.13941 169.8
[M+K]+ 286.06875 159.9
[M+H-H2O]+ 230.10285 148.6
[M+HCOO]- 292.10379 172.3
[M+CH3COO]- 306.11944 192.3
[M+Na-2H]- 268.08026 154.8
[M]+ 247.10504 157.0
[M]- 247.10614 157.0
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