CID 137701

1-methylcyclopropanemethanol

Structural Information

Molecular Formula

C₅H₁₀O

SMILES

CC1(CC1)CO

InChI

InChI=1S/C5H10O/c1-5(4-6)2-3-5/h6H,2-4H2,1H3

InChIKey

PIZQWRXTMGASCZ-UHFFFAOYSA-N

Compound name

(1-methylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1649
Patents: 86.073166 Da
Monoisotopic Mass: 0.7
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]+	87.080442	116.2
[M+Na]+	109.06238	126.1
[M-H]-	85.065890	120.3
[M+NH4]+	104.10699	136.5
[M+K]+	125.03632	125.5
[M+H-H2O]+	69.070426	112.4
[M+HCOO]-	131.07137	139.1
[M+CH3COO]-	145.08702	165.6
[M+Na-2H]-	107.04783	125.1
[M]+	86.072617	118.3
[M]-	86.073715	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe