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]+ 172.133206 132.4
[M+Na]+ 194.115148 135.6
[M-H]- 170.118654 135.9
[M+NH4]+ 189.159753 142.8
[M+K]+ 210.089088 138.6
[M+H-H2O]+ 154.123190 120.7
[M+HCOO]- 216.124131 147.9
[M+CH3COO]- 230.139781 179.3
[M+Na-2H]- 192.100596 137.4
[M]+ 171.12538142 136.5
[M]- 171.12647858 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