CID 115093801

(5-cyclopropyl-1,2-oxazol-4-yl)methanol

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC1C2=C(C=NO2)CO
InChI
InChI=1S/C7H9NO2/c9-4-6-3-8-10-7(6)5-1-2-5/h3,5,9H,1-2,4H2
InChIKey
LCOMDULDHCJZCN-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-1,2-oxazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.5
[M+Na]+ 162.052538 137.2
[M-H]- 138.056044 132.6
[M+NH4]+ 157.097143 142.0
[M+K]+ 178.026478 135.6
[M+H-H2O]+ 122.060580 120.2
[M+HCOO]- 184.061521 149.3
[M+CH3COO]- 198.077171 172.8
[M+Na-2H]- 160.037986 133.5
[M]+ 139.06277142 130.0
[M]- 139.06386858 130.0
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.