CID 62230230

2-(cyclopropylcarbamoyl)acetic acid

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1CC1NC(=O)CC(=O)O
InChI
InChI=1S/C6H9NO3/c8-5(3-6(9)10)7-4-1-2-4/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKey
QDHCAHFRQPSQIU-UHFFFAOYSA-N
Compound name
3-(cyclopropylamino)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

143.05824 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.065516 127.4
[M+Na]+ 166.047458 135.5
[M-H]- 142.050964 130.9
[M+NH4]+ 161.092063 143.0
[M+K]+ 182.021398 133.5
[M+H-H2O]+ 126.055500 121.9
[M+HCOO]- 188.056441 150.3
[M+CH3COO]- 202.072091 176.6
[M+Na-2H]- 164.032906 132.5
[M]+ 143.05769142 129.0
[M]- 143.05878858 129.0
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