CID 556871

1-allylcyclopropanecarboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C=CCC1(CC1)C(=O)O
InChI
InChI=1S/C7H10O2/c1-2-3-7(4-5-7)6(8)9/h2H,1,3-5H2,(H,8,9)
InChIKey
YCHKQUJFRCYZQT-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

126.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 126.1
[M+Na]+ 149.05730 135.5
[M-H]- 125.06080 129.8
[M+NH4]+ 144.10190 144.6
[M+K]+ 165.03124 133.7
[M+H-H2O]+ 109.06534 122.1
[M+HCOO]- 171.06628 147.9
[M+CH3COO]- 185.08193 172.3
[M+Na-2H]- 147.04275 132.6
[M]+ 126.06753 128.4
[M]- 126.06863 128.4
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.