CID 130510879

2126176-75-6

Structural Information

Molecular Formula
C8H15NO
SMILES
C1CC(COC1)C2CNC2
InChI
InChI=1S/C8H15NO/c1-2-7(6-10-3-1)8-4-9-5-8/h7-9H,1-6H2
InChIKey
XGTNEGFUCRZLOJ-UHFFFAOYSA-N
Compound name
3-(oxan-3-yl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 124.7
[M+Na]+ 164.104588 127.7
[M-H]- 140.108094 128.1
[M+NH4]+ 159.149193 136.1
[M+K]+ 180.078528 130.4
[M+H-H2O]+ 124.112630 113.2
[M+HCOO]- 186.113571 140.4
[M+CH3COO]- 200.129221 173.3
[M+Na-2H]- 162.090036 131.0
[M]+ 141.11482142 126.7
[M]- 141.11591858 126.7
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

No patent data available for this compound.