CID 12701348

(3-methyl-4,5-dihydroisoxazol-5-yl)methanol

Structural Information

Molecular Formula
C5H9NO2
SMILES
CC1=NOC(C1)CO
InChI
InChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3
InChIKey
IULDMOIFJXPJQE-UHFFFAOYSA-N
Compound name
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

115.06333 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 120.7
[M+Na]+ 138.05255 131.6
[M+NH4]+ 133.09715 128.8
[M+K]+ 154.02649 129.0
[M-H]- 114.05605 122.0
[M+Na-2H]- 136.03800 125.0
[M]+ 115.06278 122.4
[M]- 115.06388 122.4
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