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

5
Patents

116.08373 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 119.4
[M+Na]+ 139.072948 126.3
[M-H]- 115.076454 123.0
[M+NH4]+ 134.117553 136.0
[M+K]+ 155.046888 130.1
[M+H-H2O]+ 99.080990 111.6
[M+HCOO]- 161.081931 139.7
[M+CH3COO]- 175.097581 170.8
[M+Na-2H]- 137.058396 127.5
[M]+ 116.08318142 128.8
[M]- 116.08427858 128.8
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