CID 27475

3-methylenecyclobutanecarboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C=C1CC(C1)C(=O)O
InChI
InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h5H,1-3H2,(H,7,8)
InChIKey
NNKLICLIBKMDOY-UHFFFAOYSA-N
Compound name
3-methylidenecyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

660
Patents

112.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 119.3
[M+Na]+ 135.041648 125.6
[M-H]- 111.045154 121.9
[M+NH4]+ 130.086253 134.9
[M+K]+ 151.015588 127.6
[M+H-H2O]+ 95.049690 110.1
[M+HCOO]- 157.050631 139.8
[M+CH3COO]- 171.066281 170.4
[M+Na-2H]- 133.027096 123.8
[M]+ 112.05188142 125.7
[M]- 112.05297858 125.7
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