CID 84647732

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 119.1
[M+Na]+ 139.072948 124.7
[M-H]- 115.076454 122.1
[M+NH4]+ 134.117553 133.5
[M+K]+ 155.046888 128.8
[M+H-H2O]+ 99.080990 110.3
[M+HCOO]- 161.081931 137.9
[M+CH3COO]- 175.097581 170.4
[M+Na-2H]- 137.058396 127.5
[M]+ 116.08318142 127.3
[M]- 116.08427858 127.3
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.