CID 16227021

(2e)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1CC1C2=CC=C(O2)/C=C/C(=O)O
InChI
InChI=1S/C11H12O3/c1-7-6-9(7)10-4-2-8(14-10)3-5-11(12)13/h2-5,7,9H,6H2,1H3,(H,12,13)/b5-3+
InChIKey
AWPMLPOPHQPMJY-HWKANZROSA-N
Compound name
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

192.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 137.8
[M+Na]+ 215.06786 148.0
[M-H]- 191.07136 145.3
[M+NH4]+ 210.11246 152.7
[M+K]+ 231.04180 145.2
[M+H-H2O]+ 175.07590 132.4
[M+HCOO]- 237.07684 160.2
[M+CH3COO]- 251.09249 183.5
[M+Na-2H]- 213.05331 141.5
[M]+ 192.07809 142.2
[M]- 192.07919 142.2
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.