CID 11389373

Methyl cyclobut-1-ene-1-carboxylate

Structural Information

Molecular Formula
C6H8O2
SMILES
COC(=O)C1=CCC1
InChI
InChI=1S/C6H8O2/c1-8-6(7)5-3-2-4-5/h3H,2,4H2,1H3
InChIKey
JMIOIWRHSVRPJX-UHFFFAOYSA-N
Compound name
methyl cyclobutene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11901
Patents

112.05243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.059706 117.6
[M+Na]+ 135.041648 124.3
[M-H]- 111.045154 121.6
[M+NH4]+ 130.086253 133.9
[M+K]+ 151.015588 127.6
[M+H-H2O]+ 95.049690 108.0
[M+HCOO]- 157.050631 140.9
[M+CH3COO]- 171.066281 171.8
[M+Na-2H]- 133.027096 124.4
[M]+ 112.05188142 127.5
[M]- 112.05297858 127.5
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