CID 12510961

1-ethenylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C=CC1(CC1)C(=O)O
InChI
InChI=1S/C6H8O2/c1-2-6(3-4-6)5(7)8/h2H,1,3-4H2,(H,7,8)
InChIKey
PDOBSLHNWIVQJX-UHFFFAOYSA-N
Compound name
1-ethenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23368
Patents

112.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.8
[M+Na]+ 135.04165 131.6
[M-H]- 111.04515 125.8
[M+NH4]+ 130.08625 140.9
[M+K]+ 151.01559 130.1
[M+H-H2O]+ 95.049690 118.0
[M+HCOO]- 157.05063 144.0
[M+CH3COO]- 171.06628 169.4
[M+Na-2H]- 133.02710 128.9
[M]+ 112.05188 123.8
[M]- 112.05298 123.8
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