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

1
Patents

174.10045 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 138.9
[M+Na]+ 197.08967 144.0
[M-H]- 173.09317 137.5
[M+NH4]+ 192.13427 157.5
[M+K]+ 213.06361 144.3
[M+H-H2O]+ 157.09771 134.1
[M+HCOO]- 219.09865 158.9
[M+CH3COO]- 233.11430 182.7
[M+Na-2H]- 195.07512 141.2
[M]+ 174.09990 136.2
[M]- 174.10100 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