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]+ 189.12337 143.1
[M+Na]+ 211.10531 147.9
[M-H]- 187.10881 142.0
[M+NH4]+ 206.14991 161.5
[M+K]+ 227.07925 147.8
[M+H-H2O]+ 171.11335 138.0
[M+HCOO]- 233.11429 164.4
[M+CH3COO]- 247.12994 185.3
[M+Na-2H]- 209.09076 147.3
[M]+ 188.11554 142.5
[M]- 188.11664 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.