CID 81815546

1-[methyl(prop-2-en-1-yl)carbamoyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3
SMILES
CN(CC=C)C(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C9H13NO3/c1-3-6-10(2)7(11)9(4-5-9)8(12)13/h3H,1,4-6H2,2H3,(H,12,13)
InChIKey
XTPMGNVIJWEBAU-UHFFFAOYSA-N
Compound name
1-[methyl(prop-2-enyl)carbamoyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 139.8
[M+Na]+ 206.078758 147.8
[M-H]- 182.082264 144.5
[M+NH4]+ 201.123363 156.3
[M+K]+ 222.052698 146.8
[M+H-H2O]+ 166.086800 135.3
[M+HCOO]- 228.087741 162.0
[M+CH3COO]- 242.103391 187.3
[M+Na-2H]- 204.064206 143.8
[M]+ 183.08899142 143.5
[M]- 183.09008858 143.5
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.