CID 14877124

2-(carbamoylamino)-3,3-dimethylbutanoic acid

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(C)(C)C(C(=O)O)NC(=O)N
InChI
InChI=1S/C7H14N2O3/c1-7(2,3)4(5(10)11)9-6(8)12/h4H,1-3H3,(H,10,11)(H3,8,9,12)
InChIKey
JDFUKHCIGQJBDY-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-3,3-dimethylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

174.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 138.9
[M+Na]+ 197.089668 144.0
[M-H]- 173.093174 137.5
[M+NH4]+ 192.134273 157.5
[M+K]+ 213.063608 144.3
[M+H-H2O]+ 157.097710 134.1
[M+HCOO]- 219.098651 158.9
[M+CH3COO]- 233.114301 182.7
[M+Na-2H]- 195.075116 141.2
[M]+ 174.09990142 136.2
[M]- 174.10099858 136.2
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