CID 15466446

2-cyclopropylideneacetic acid

Structural Information

Molecular Formula
C5H6O2
SMILES
C1CC1=CC(=O)O
InChI
InChI=1S/C5H6O2/c6-5(7)3-4-1-2-4/h3H,1-2H2,(H,6,7)
InChIKey
BUTJLJIPWQEYOC-UHFFFAOYSA-N
Compound name
2-cyclopropylideneacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

98.03678 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 117.1
[M+Na]+ 121.02600 126.8
[M-H]- 97.029504 120.9
[M+NH4]+ 116.07060 134.9
[M+K]+ 136.99994 124.6
[M+H-H2O]+ 81.034040 112.2
[M+HCOO]- 143.03498 140.0
[M+CH3COO]- 157.05063 166.3
[M+Na-2H]- 119.01145 123.7
[M]+ 98.036231 118.2
[M]- 98.037329 118.2
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