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

6
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 119.4
[M+Na]+ 139.07295 126.3
[M-H]- 115.07645 123.0
[M+NH4]+ 134.11755 136.0
[M+K]+ 155.04689 130.1
[M+H-H2O]+ 99.080990 111.6
[M+HCOO]- 161.08193 139.7
[M+CH3COO]- 175.09758 170.8
[M+Na-2H]- 137.05840 127.5
[M]+ 116.08318 128.8
[M]- 116.08428 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