CID 21923173

2-cyclobutylideneacetic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC(=CC(=O)O)C1
InChI
InChI=1S/C6H8O2/c7-6(8)4-5-2-1-3-5/h4H,1-3H2,(H,7,8)
InChIKey
ACWUGSRELMTOFJ-UHFFFAOYSA-N
Compound name
2-cyclobutylideneacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

112.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 119.9
[M+Na]+ 135.04165 125.3
[M-H]- 111.04515 122.1
[M+NH4]+ 130.08625 135.2
[M+K]+ 151.01559 127.4
[M+H-H2O]+ 95.049690 110.4
[M+HCOO]- 157.05063 140.4
[M+CH3COO]- 171.06628 168.6
[M+Na-2H]- 133.02710 125.0
[M]+ 112.05188 125.8
[M]- 112.05298 125.8
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