CID 56834265

(3,3-dimethyloxetan-2-yl)methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(COC1CO)C
InChI
InChI=1S/C6H12O2/c1-6(2)4-8-5(6)3-7/h5,7H,3-4H2,1-2H3
InChIKey
RRGZEWCTGRLQTQ-UHFFFAOYSA-N
Compound name
(3,3-dimethyloxetan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

116.08373 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 121.3
[M+Na]+ 139.07295 127.9
[M+NH4]+ 134.11755 127.2
[M+K]+ 155.04689 123.7
[M-H]- 115.07645 120.6
[M+Na-2H]- 137.05840 124.7
[M]+ 116.08318 120.9
[M]- 116.08428 120.9
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