CID 155821316

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

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CCN1)CCO
InChI
InChI=1S/C6H13NO/c1-6(3-5-8)2-4-7-6/h7-8H,2-5H2,1H3
InChIKey
HFACKLBAIIMERC-UHFFFAOYSA-N
Compound name
2-(2-methylazetidin-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.9
[M+Na]+ 138.088938 131.6
[M-H]- 114.092444 125.5
[M+NH4]+ 133.133543 141.4
[M+K]+ 154.062878 132.9
[M+H-H2O]+ 98.096980 116.9
[M+HCOO]- 160.097921 144.1
[M+CH3COO]- 174.113571 167.9
[M+Na-2H]- 136.074386 132.7
[M]+ 115.09917142 131.5
[M]- 115.10026858 131.5
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

No patent data available for this compound.