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

20
Patents

116.08373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 120.8
[M+Na]+ 139.072948 125.6
[M-H]- 115.076454 123.5
[M+NH4]+ 134.117553 134.9
[M+K]+ 155.046888 129.8
[M+H-H2O]+ 99.080990 111.2
[M+HCOO]- 161.081931 140.0
[M+CH3COO]- 175.097581 171.0
[M+Na-2H]- 137.058396 127.1
[M]+ 116.08318142 128.7
[M]- 116.08427858 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