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

2
Patents

145.0739 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.08118 129.9
[M+Na]+ 168.06312 136.3
[M-H]- 144.06662 128.6
[M+NH4]+ 163.10772 150.0
[M+K]+ 184.03706 136.3
[M+H-H2O]+ 128.07116 125.8
[M+HCOO]- 190.07210 150.1
[M+CH3COO]- 204.08775 174.8
[M+Na-2H]- 166.04857 133.8
[M]+ 145.07335 128.5
[M]- 145.07445 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