CID 22081028

(5-methyl-1,3-oxazol-2-yl)methanol

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=CN=C(O1)CO
InChI
InChI=1S/C5H7NO2/c1-4-2-6-5(3-7)8-4/h2,7H,3H2,1H3
InChIKey
JDRBDIIAXYFTIK-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-oxazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
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

No literature data available for this compound.

Patent stripe

patents stripe