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

113
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

literature stripe

Patent stripe

patents stripe