CID 67500865

2-(1-ethenylcyclopropyl)acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 126.1
[M+Na]+ 149.057298 135.5
[M-H]- 125.060804 129.8
[M+NH4]+ 144.101903 144.6
[M+K]+ 165.031238 133.7
[M+H-H2O]+ 109.065340 122.1
[M+HCOO]- 171.066281 147.9
[M+CH3COO]- 185.081931 172.3
[M+Na-2H]- 147.042746 132.6
[M]+ 126.06753142 128.4
[M]- 126.06862858 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

patents stripe