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

24
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 120.8
[M+Na]+ 139.07295 125.6
[M-H]- 115.07645 123.5
[M+NH4]+ 134.11755 134.9
[M+K]+ 155.04689 129.8
[M+H-H2O]+ 99.080990 111.2
[M+HCOO]- 161.08193 140.0
[M+CH3COO]- 175.09758 171.0
[M+Na-2H]- 137.05840 127.1
[M]+ 116.08318 128.7
[M]- 116.08428 128.7
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