CID 98073

4-oxazolemethanol, 4,5-dihydro-2,4-dimethyl-

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC1=NC(CO1)(C)CO
InChI
InChI=1S/C6H11NO2/c1-5-7-6(2,3-8)4-9-5/h8H,3-4H2,1-2H3
InChIKey
YWLSGHOSSUXBJK-UHFFFAOYSA-N
Compound name
(2,4-dimethyl-5H-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 123.2
[M+Na]+ 152.06820 132.2
[M-H]- 128.07170 125.2
[M+NH4]+ 147.11280 146.0
[M+K]+ 168.04214 132.6
[M+H-H2O]+ 112.07624 118.8
[M+HCOO]- 174.07718 144.8
[M+CH3COO]- 188.09283 167.3
[M+Na-2H]- 150.05365 130.7
[M]+ 129.07843 124.1
[M]- 129.07953 124.1
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