CID 15656335

155380-49-7

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

COC(=O)C1(CCC1)C=O

InChI

InChI=1S/C7H10O3/c1-10-6(9)7(5-8)3-2-4-7/h5H,2-4H2,1H3

InChIKey

ZWKZWJDTPRZFLV-UHFFFAOYSA-N

Compound name

methyl 1-formylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 142.06299 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.07027	126.6
[M+Na]+	165.05221	132.8
[M-H]-	141.05571	130.4
[M+NH4]+	160.09681	143.4
[M+K]+	181.02615	136.0
[M+H-H2O]+	125.06025	118.0
[M+HCOO]-	187.06119	148.4
[M+CH3COO]-	201.07684	175.7
[M+Na-2H]-	163.03766	132.9
[M]+	142.06244	136.5
[M]-	142.06354	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe