CID 448879

N-carbamyl-d-valine

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CC(C)[C@H](C(=O)O)NC(=O)N
InChI
InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1
InChIKey
JDXMIYHOSFNZKO-SCSAIBSYSA-N
Compound name
(2R)-2-(carbamoylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

128
Patents

160.0848 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 135.8
[M+Na]+ 183.074018 140.5
[M-H]- 159.077524 134.3
[M+NH4]+ 178.118623 154.6
[M+K]+ 199.047958 141.1
[M+H-H2O]+ 143.082060 130.4
[M+HCOO]- 205.083001 156.5
[M+CH3COO]- 219.098651 181.0
[M+Na-2H]- 181.059466 136.4
[M]+ 160.08425142 132.6
[M]- 160.08534858 132.6
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

No patent data available for this compound.