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

11
Patents

157.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.4
[M+Na]+ 180.099498 142.1
[M-H]- 156.103004 136.1
[M+NH4]+ 175.144103 154.3
[M+K]+ 196.073438 142.3
[M+H-H2O]+ 140.107540 129.4
[M+HCOO]- 202.108481 153.7
[M+CH3COO]- 216.124131 173.5
[M+Na-2H]- 178.084946 140.3
[M]+ 157.10973142 135.1
[M]- 157.11082858 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