CID 68267284

2-[3-(propan-2-yloxy)azetidin-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)OC1CN(C1)CCO
InChI
InChI=1S/C8H17NO2/c1-7(2)11-8-5-9(6-8)3-4-10/h7-8,10H,3-6H2,1-2H3
InChIKey
PLQOJZVNALVUQS-UHFFFAOYSA-N
Compound name
2-(3-propan-2-yloxyazetidin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 136.4
[M+Na]+ 182.11515 141.1
[M-H]- 158.11865 136.9
[M+NH4]+ 177.15975 148.9
[M+K]+ 198.08909 143.8
[M+H-H2O]+ 142.12319 125.4
[M+HCOO]- 204.12413 154.5
[M+CH3COO]- 218.13978 180.6
[M+Na-2H]- 180.10060 139.5
[M]+ 159.12538 145.2
[M]- 159.12648 145.2
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