CID 358997

3-(1,3-oxazol-5-yl)propan-1-ol

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1=C(OC=N1)CCCO
InChI
InChI=1S/C6H9NO2/c8-3-1-2-6-4-7-5-9-6/h4-5,8H,1-3H2
InChIKey
LQWMUZPSOMBRRG-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

127.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 123.8
[M+Na]+ 150.05255 135.0
[M+NH4]+ 145.09715 131.8
[M+K]+ 166.02649 131.8
[M-H]- 126.05605 125.3
[M+Na-2H]- 148.03800 129.0
[M]+ 127.06278 125.6
[M]- 127.06388 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe