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]+ 193.085916 137.8
[M+Na]+ 215.067858 148.0
[M-H]- 191.071364 145.3
[M+NH4]+ 210.112463 152.7
[M+K]+ 231.041798 145.2
[M+H-H2O]+ 175.075900 132.4
[M+HCOO]- 237.076841 160.2
[M+CH3COO]- 251.092491 183.5
[M+Na-2H]- 213.053306 141.5
[M]+ 192.07809142 142.2
[M]- 192.07918858 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.