CID 2733272

1-carbamoylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CC1(C(=O)N)C(=O)O
InChI
InChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)
InChIKey
SDHXFKBMHSJXHA-UHFFFAOYSA-N
Compound name
1-carbamoylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

529
Patents

129.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.049866 123.6
[M+Na]+ 152.031808 132.7
[M-H]- 128.035314 127.0
[M+NH4]+ 147.076413 141.2
[M+K]+ 168.005748 131.5
[M+H-H2O]+ 112.039850 119.7
[M+HCOO]- 174.040791 145.7
[M+CH3COO]- 188.056441 173.4
[M+Na-2H]- 150.017256 129.3
[M]+ 129.04204142 124.4
[M]- 129.04313858 124.4
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

patents stripe