CID 13759264

[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanol

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)CC1=CC(=NO1)CO
InChI
InChI=1S/C8H13NO2/c1-6(2)3-8-4-7(5-10)9-11-8/h4,6,10H,3,5H2,1-2H3
InChIKey
PKAFZFKCRSZQOD-UHFFFAOYSA-N
Compound name
[5-(2-methylpropyl)-1,2-oxazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 132.9
[M+Na]+ 178.083858 140.9
[M-H]- 154.087364 134.7
[M+NH4]+ 173.128463 152.7
[M+K]+ 194.057798 140.9
[M+H-H2O]+ 138.091900 127.2
[M+HCOO]- 200.092841 154.3
[M+CH3COO]- 214.108491 174.3
[M+Na-2H]- 176.069306 137.8
[M]+ 155.09409142 135.0
[M]- 155.09518858 135.0
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

No patent data available for this compound.