CID 11051654

Methyl 3-methylenecyclobutanecarboxylate

Structural Information

Molecular Formula
C7H10O2
SMILES
COC(=O)C1CC(=C)C1
InChI
InChI=1S/C7H10O2/c1-5-3-6(4-5)7(8)9-2/h6H,1,3-4H2,2H3
InChIKey
OSWTXCSCDKIANQ-UHFFFAOYSA-N
Compound name
methyl 3-methylidenecyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

126.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 122.3
[M+Na]+ 149.05730 128.7
[M-H]- 125.06080 126.1
[M+NH4]+ 144.10190 138.2
[M+K]+ 165.03124 131.4
[M+H-H2O]+ 109.06534 112.9
[M+HCOO]- 171.06628 144.0
[M+CH3COO]- 185.08193 175.3
[M+Na-2H]- 147.04275 126.9
[M]+ 126.06753 130.8
[M]- 126.06863 130.8
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