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

193
Patents

161.0688 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.07608 132.4
[M+Na]+ 184.05802 138.9
[M-H]- 160.06152 131.6
[M+NH4]+ 179.10262 152.2
[M+K]+ 200.03196 139.8
[M+H-H2O]+ 144.06606 128.1
[M+HCOO]- 206.06700 153.5
[M+CH3COO]- 220.08265 176.3
[M+Na-2H]- 182.04347 137.5
[M]+ 161.06825 133.3
[M]- 161.06935 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