CID 114555

13670-31-0

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(CO)C1=NCCO1

InChI

InChI=1S/C6H11NO2/c1-5(4-8)6-7-2-3-9-6/h5,8H,2-4H2,1H3

InChIKey

SWYMJLYPXAXHBJ-UHFFFAOYSA-N

Compound name

2-(4,5-dihydro-1,3-oxazol-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 129.07898 Da
Monoisotopic Mass: -0.4
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]+	130.086256	126.0
[M+Na]+	152.068198	132.8
[M-H]-	128.071704	127.3
[M+NH4]+	147.112803	146.3
[M+K]+	168.042138	133.5
[M+H-H2O]+	112.076240	120.3
[M+HCOO]-	174.077181	146.5
[M+CH3COO]-	188.092831	167.5
[M+Na-2H]-	150.053646	131.6
[M]+	129.07843142	125.5
[M]-	129.07952858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe