CID 140710

1,2-cyclopentanediol, 1-methyl-, trans-

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CC1(CCCC1O)O

InChI

InChI=1S/C6H12O2/c1-6(8)4-2-3-5(6)7/h5,7-8H,2-4H2,1H3

InChIKey

CVZBNRSGTBIHPO-UHFFFAOYSA-N

Compound name

1-methylcyclopentane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 116.08373 Da
Monoisotopic Mass: 0.0
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]+	117.09101	123.2
[M+Na]+	139.07295	130.7
[M-H]-	115.07645	124.3
[M+NH4]+	134.11755	148.3
[M+K]+	155.04689	129.4
[M+H-H2O]+	99.080990	120.0
[M+HCOO]-	161.08193	143.9
[M+CH3COO]-	175.09758	162.5
[M+Na-2H]-	137.05840	128.3
[M]+	116.08318	119.6
[M]-	116.08428	119.6

Literature stripe

literature stripe

Patent stripe

patents stripe