CID 3898924

(2-methyloxetan-2-yl)methanol

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1(CCO1)CO
InChI
InChI=1S/C5H10O2/c1-5(4-6)2-3-7-5/h6H,2-4H2,1H3
InChIKey
SHSBMPDSSWZEPU-UHFFFAOYSA-N
Compound name
(2-methyloxetan-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

78
Patents

102.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 117.1
[M+Na]+ 125.05730 123.5
[M+NH4]+ 120.10190 123.1
[M+K]+ 141.03124 119.3
[M-H]- 101.06080 116.4
[M+Na-2H]- 123.04275 121.0
[M]+ 102.06753 116.7
[M]- 102.06863 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe