CID 12450336

3697-68-5

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CCOC(=O)C1(CC1)CO

InChI

InChI=1S/C7H12O3/c1-2-10-6(9)7(5-8)3-4-7/h8H,2-5H2,1H3

InChIKey

PAILVKQSHRJIPE-UHFFFAOYSA-N

Compound name

ethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 452
Patents: 144.07864 Da
Monoisotopic Mass: 0.1
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	130.9
[M+Na]+	167.067858	140.1
[M-H]-	143.071364	134.6
[M+NH4]+	162.112463	148.9
[M+K]+	183.041798	139.3
[M+H-H2O]+	127.075900	126.8
[M+HCOO]-	189.076841	152.8
[M+CH3COO]-	203.092491	174.5
[M+Na-2H]-	165.053306	137.5
[M]+	144.07809142	135.3
[M]-	144.07918858	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe