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

62
Patents

115.09972 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 122.7
[M+Na]+ 138.08894 128.9
[M-H]- 114.09244 123.6
[M+NH4]+ 133.13354 137.3
[M+K]+ 154.06288 131.1
[M+H-H2O]+ 98.096980 112.6
[M+HCOO]- 160.09792 142.4
[M+CH3COO]- 174.11357 171.9
[M+Na-2H]- 136.07439 128.5
[M]+ 115.09917 130.2
[M]- 115.10027 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