CID 5324810

141567-53-5

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=NC(=CO1)CO
InChI
InChI=1S/C5H7NO2/c1-4-6-5(2-7)3-8-4/h3,7H,2H2,1H3
InChIKey
BGPDSEDYUPFTBI-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

113.047676 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 118.1
[M+Na]+ 136.03689 127.6
[M-H]- 112.04040 120.2
[M+NH4]+ 131.08150 139.6
[M+K]+ 152.01083 127.9
[M+H-H2O]+ 96.044936 112.9
[M+HCOO]- 158.04588 141.4
[M+CH3COO]- 172.06153 164.3
[M+Na-2H]- 134.02234 125.9
[M]+ 113.04713 119.7
[M]- 113.04822 119.7
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

patents stripe