CID 45090007

169899-49-4

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC1(CC(C1)O)C(=O)OC

InChI

InChI=1S/C7H12O3/c1-7(6(9)10-2)3-5(8)4-7/h5,8H,3-4H2,1-2H3

InChIKey

KFLCCZPFOPDGLN-UHFFFAOYSA-N

Compound name

methyl 3-hydroxy-1-methylcyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 144.07864 Da
Monoisotopic Mass: 0.3
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]+	145.085916	129.0
[M+Na]+	167.067858	135.3
[M-H]-	143.071364	131.7
[M+NH4]+	162.112463	145.4
[M+K]+	183.041798	138.3
[M+H-H2O]+	127.075900	120.8
[M+HCOO]-	189.076841	149.1
[M+CH3COO]-	203.092491	175.1
[M+Na-2H]-	165.053306	134.0
[M]+	144.07809142	138.1
[M]-	144.07918858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe