CID 132344025

2137687-77-3

Structural Information

Molecular Formula

SMILES

C1CC1C2=NOC=C2CO

InChI

InChI=1S/C7H9NO2/c9-3-6-4-10-8-7(6)5-1-2-5/h4-5,9H,1-3H2

InChIKey

OFSMUHKQHUVNDR-UHFFFAOYSA-N

Compound name

(3-cyclopropyl-1,2-oxazol-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 139.06332 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]+	140.070596	126.5
[M+Na]+	162.052538	137.2
[M-H]-	138.056044	132.6
[M+NH4]+	157.097143	142.0
[M+K]+	178.026478	135.6
[M+H-H2O]+	122.060580	120.2
[M+HCOO]-	184.061521	149.3
[M+CH3COO]-	198.077171	172.8
[M+Na-2H]-	160.037986	133.5
[M]+	139.06277142	130.0
[M]-	139.06386858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe