CID 16790848

2-methyl-2-[(propylcarbamoyl)amino]propanoic acid

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CCCNC(=O)NC(C)(C)C(=O)O
InChI
InChI=1S/C8H16N2O3/c1-4-5-9-7(13)10-8(2,3)6(11)12/h4-5H2,1-3H3,(H,11,12)(H2,9,10,13)
InChIKey
QVBKHFOBFVWKIN-UHFFFAOYSA-N
Compound name
2-methyl-2-(propylcarbamoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

188.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.123366 143.1
[M+Na]+ 211.105308 147.9
[M-H]- 187.108814 142.0
[M+NH4]+ 206.149913 161.5
[M+K]+ 227.079248 147.8
[M+H-H2O]+ 171.113350 138.0
[M+HCOO]- 233.114291 164.4
[M+CH3COO]- 247.129941 185.3
[M+Na-2H]- 209.090756 147.3
[M]+ 188.11554142 142.5
[M]- 188.11663858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.