CID 28065039

1060817-48-2

Structural Information

Molecular Formula

SMILES

C1CC1C2=CC(=NO2)CO

InChI

InChI=1S/C7H9NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3,5,9H,1-2,4H2

InChIKey

NUYRQGMZXHHVQB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
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]+	140.07060	126.5
[M+Na]+	162.05254	137.2
[M-H]-	138.05604	132.6
[M+NH4]+	157.09714	142.0
[M+K]+	178.02648	135.6
[M+H-H2O]+	122.06058	120.2
[M+HCOO]-	184.06152	149.3
[M+CH3COO]-	198.07717	172.8
[M+Na-2H]-	160.03799	133.5
[M]+	139.06277	130.0
[M]-	139.06387	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe