CID 56777521

3-(prop-2-ynyl)oxetan-3-ol

Structural Information

Molecular Formula
C6H8O2
SMILES
C#CCC1(COC1)O
InChI
InChI=1S/C6H8O2/c1-2-3-6(7)4-8-5-6/h1,7H,3-5H2
InChIKey
NUVJUOZKDXUTIN-UHFFFAOYSA-N
Compound name
3-prop-2-ynyloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

112.05243 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 112.2
[M+Na]+ 135.04165 121.0
[M-H]- 111.04515 114.7
[M+NH4]+ 130.08625 127.0
[M+K]+ 151.01559 123.7
[M+H-H2O]+ 95.049690 99.0
[M+HCOO]- 157.05063 127.8
[M+CH3COO]- 171.06628 177.6
[M+Na-2H]- 133.02710 120.8
[M]+ 112.05188 115.0
[M]- 112.05298 115.0
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

patents stripe