CID 60004808

2-(1-methylazetidin-3-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CN1CC(C1)CCO
InChI
InChI=1S/C6H13NO/c1-7-4-6(5-7)2-3-8/h6,8H,2-5H2,1H3
InChIKey
XUCLCYHNWRAQJA-UHFFFAOYSA-N
Compound name
2-(1-methylazetidin-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 122.7
[M+Na]+ 138.088938 128.9
[M-H]- 114.092444 123.6
[M+NH4]+ 133.133543 137.3
[M+K]+ 154.062878 131.1
[M+H-H2O]+ 98.096980 112.6
[M+HCOO]- 160.097921 142.4
[M+CH3COO]- 174.113571 171.9
[M+Na-2H]- 136.074386 128.5
[M]+ 115.09917142 130.2
[M]- 115.10026858 130.2
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