CID 199539

4378-02-3

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(C#C)(C1CC1)O

InChI

InChI=1S/C7H10O/c1-3-7(2,8)6-4-5-6/h1,6,8H,4-5H2,2H3

InChIKey

TXBLNDNWPNEHKV-UHFFFAOYSA-N

Compound name

2-cyclopropylbut-3-yn-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 93
Patents: 110.073166 Da
Monoisotopic Mass: 0.6
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]+	111.080442	120.7
[M+Na]+	133.062384	135.9
[M-H]-	109.065890	125.3
[M+NH4]+	128.106989	138.1
[M+K]+	149.036324	130.5
[M+H-H2O]+	93.070426	113.0
[M+HCOO]-	155.071367	138.5
[M+CH3COO]-	169.087017	179.8
[M+Na-2H]-	131.047832	129.0
[M]+	110.07261742	118.8
[M]-	110.07371458	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe