CID 59832583

2-(2-methyloxetan-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CCO1)CCO
InChI
InChI=1S/C6H12O2/c1-6(2-4-7)3-5-8-6/h7H,2-5H2,1H3
InChIKey
YOSHXFNZIXPGPF-UHFFFAOYSA-N
Compound name
2-(2-methyloxetan-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 119.8
[M+Na]+ 139.07295 125.8
[M-H]- 115.07645 123.0
[M+NH4]+ 134.11755 136.0
[M+K]+ 155.04689 129.6
[M+H-H2O]+ 99.080990 111.7
[M+HCOO]- 161.08193 140.1
[M+CH3COO]- 175.09758 169.7
[M+Na-2H]- 137.05840 128.6
[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