CID 55289265

2-carbamoyl-2-methylbutanoic acid

Structural Information

Molecular Formula
C6H11NO3
SMILES
CCC(C)(C(=O)N)C(=O)O
InChI
InChI=1S/C6H11NO3/c1-3-6(2,4(7)8)5(9)10/h3H2,1-2H3,(H2,7,8)(H,9,10)
InChIKey
LYRJONPZYBDVJR-UHFFFAOYSA-N
Compound name
2-carbamoyl-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

145.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 129.9
[M+Na]+ 168.063118 136.3
[M-H]- 144.066624 128.6
[M+NH4]+ 163.107723 150.0
[M+K]+ 184.037058 136.3
[M+H-H2O]+ 128.071160 125.8
[M+HCOO]- 190.072101 150.1
[M+CH3COO]- 204.087751 174.8
[M+Na-2H]- 166.048566 133.8
[M]+ 145.07335142 128.5
[M]- 145.07444858 128.5
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