CID 112756401

(2-tert-butyl-1,3-oxazol-4-yl)methanol

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)(C)C1=NC(=CO1)CO
InChI
InChI=1S/C8H13NO2/c1-8(2,3)7-9-6(4-10)5-11-7/h5,10H,4H2,1-3H3
InChIKey
NRSRWJQSRGZPSD-UHFFFAOYSA-N
Compound name
(2-tert-butyl-1,3-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

155.09464 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 132.5
[M+Na]+ 178.08386 141.3
[M-H]- 154.08736 134.6
[M+NH4]+ 173.12846 152.6
[M+K]+ 194.05780 141.3
[M+H-H2O]+ 138.09190 127.6
[M+HCOO]- 200.09284 153.3
[M+CH3COO]- 214.10849 173.1
[M+Na-2H]- 176.06931 139.4
[M]+ 155.09409 134.7
[M]- 155.09519 134.7
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