CID 131265427

[1-(oxan-4-yl)azetidin-2-yl]methanol

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CN(C1CO)C2CCOCC2
InChI
InChI=1S/C9H17NO2/c11-7-9-1-4-10(9)8-2-5-12-6-3-8/h8-9,11H,1-7H2
InChIKey
OMDVESRMCYZTTR-UHFFFAOYSA-N
Compound name
[1-(oxan-4-yl)azetidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.12593 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 132.4
[M+Na]+ 194.11515 135.6
[M-H]- 170.11865 135.9
[M+NH4]+ 189.15975 142.8
[M+K]+ 210.08909 138.6
[M+H-H2O]+ 154.12319 120.7
[M+HCOO]- 216.12413 147.9
[M+CH3COO]- 230.13978 179.3
[M+Na-2H]- 192.10060 137.4
[M]+ 171.12538 136.5
[M]- 171.12648 136.5
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

patents stripe