CID 23006253

{4h,5h,6h-cyclopenta[d][1,2]oxazol-3-yl}methanol

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC2=C(C1)ON=C2CO
InChI
InChI=1S/C7H9NO2/c9-4-6-5-2-1-3-7(5)10-8-6/h9H,1-4H2
InChIKey
DSUUIBXUUDUUPM-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 125.6
[M+Na]+ 162.052538 134.6
[M-H]- 138.056044 128.4
[M+NH4]+ 157.097143 148.7
[M+K]+ 178.026478 134.1
[M+H-H2O]+ 122.060580 120.8
[M+HCOO]- 184.061521 147.5
[M+CH3COO]- 198.077171 168.6
[M+Na-2H]- 160.037986 131.7
[M]+ 139.06277142 126.2
[M]- 139.06386858 126.2
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.