CID 79145520

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

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC1C2=C(N=CO2)CO
InChI
InChI=1S/C7H9NO2/c9-3-6-7(5-1-2-5)10-4-8-6/h4-5,9H,1-3H2
InChIKey
OUOYGFGCOYOZKI-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.