CID 69504120

1-(oxetan-2-yl)propan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CCC(C1CCO1)O
InChI
InChI=1S/C6H12O2/c1-2-5(7)6-3-4-8-6/h5-7H,2-4H2,1H3
InChIKey
GVPVBZMMDSENEE-UHFFFAOYSA-N
Compound name
1-(oxetan-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

116.08373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.6
[M+Na]+ 139.07295 128.3
[M+NH4]+ 134.11755 126.9
[M+K]+ 155.04689 126.2
[M-H]- 115.07645 121.6
[M+Na-2H]- 137.05840 124.2
[M]+ 116.08318 121.7
[M]- 116.08428 121.7
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