CID 119031629

3,3-dimethyl-2-(oxolan-2-yl)azetidine

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1(CNC1C2CCCO2)C
InChI
InChI=1S/C9H17NO/c1-9(2)6-10-8(9)7-4-3-5-11-7/h7-8,10H,3-6H2,1-2H3
InChIKey
IWMVINFJTHUWCN-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-(oxolan-2-yl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 130.6
[M+Na]+ 178.12023 135.5
[M-H]- 154.12373 134.9
[M+NH4]+ 173.16483 145.6
[M+K]+ 194.09417 137.7
[M+H-H2O]+ 138.12827 121.1
[M+HCOO]- 200.12921 147.9
[M+CH3COO]- 214.14486 176.5
[M+Na-2H]- 176.10568 135.1
[M]+ 155.13046 135.5
[M]- 155.13156 135.5
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

No patent data available for this compound.