CID 4101437

1,1-bis(hydroxymethyl)cyclopropane

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1CC1(CO)CO

InChI

InChI=1S/C5H10O2/c6-3-5(4-7)1-2-5/h6-7H,1-4H2

InChIKey

YAINYZJQSQEGND-UHFFFAOYSA-N

Compound name

[1-(hydroxymethyl)cyclopropyl]methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1479
Patents: 102.06808 Da
Monoisotopic Mass: -0.5
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]+	103.075356	119.4
[M+Na]+	125.057298	128.9
[M-H]-	101.060804	122.0
[M+NH4]+	120.101903	138.3
[M+K]+	141.031238	127.5
[M+H-H2O]+	85.065340	115.7
[M+HCOO]-	147.066281	141.0
[M+CH3COO]-	161.081931	165.0
[M+Na-2H]-	123.042746	127.8
[M]+	102.06753142	121.2
[M]-	102.06862858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe