CID 12086783

91826-96-9

Structural Information

Molecular Formula
C6H11NO4
SMILES
CC(C)(C(=O)O)NC(=O)OC
InChI
InChI=1S/C6H11NO4/c1-6(2,4(8)9)7-5(10)11-3/h1-3H3,(H,7,10)(H,8,9)
InChIKey
GQSBWCLCEYQKPE-UHFFFAOYSA-N
Compound name
2-(methoxycarbonylamino)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

161.0688 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 132.4
[M+Na]+ 184.058018 138.9
[M-H]- 160.061524 131.6
[M+NH4]+ 179.102623 152.2
[M+K]+ 200.031958 139.8
[M+H-H2O]+ 144.066060 128.1
[M+HCOO]- 206.067001 153.5
[M+CH3COO]- 220.082651 176.3
[M+Na-2H]- 182.043466 137.5
[M]+ 161.06825142 133.3
[M]- 161.06934858 133.3
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