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 123.1
[M+Na]+ 150.05255 131.3
[M-H]- 126.05605 124.7
[M+NH4]+ 145.09715 143.7
[M+K]+ 166.02649 131.4
[M+H-H2O]+ 110.06059 117.4
[M+HCOO]- 172.06153 146.1
[M+CH3COO]- 186.07718 166.3
[M+Na-2H]- 148.03800 131.0
[M]+ 127.06278 124.7
[M]- 127.06388 124.7
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