CID 13801521

(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)methanol

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C)C1=NOC(C1)CO
InChI
InChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3
InChIKey
QKZPPUZEXMEYMU-UHFFFAOYSA-N
Compound name
(3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

157.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.4
[M+Na]+ 180.09950 142.1
[M-H]- 156.10300 136.1
[M+NH4]+ 175.14410 154.3
[M+K]+ 196.07344 142.3
[M+H-H2O]+ 140.10754 129.4
[M+HCOO]- 202.10848 153.7
[M+CH3COO]- 216.12413 173.5
[M+Na-2H]- 178.08495 140.3
[M]+ 157.10973 135.1
[M]- 157.11083 135.1
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