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]+ 156.138286 130.6
[M+Na]+ 178.120228 135.5
[M-H]- 154.123734 134.9
[M+NH4]+ 173.164833 145.6
[M+K]+ 194.094168 137.7
[M+H-H2O]+ 138.128270 121.1
[M+HCOO]- 200.129211 147.9
[M+CH3COO]- 214.144861 176.5
[M+Na-2H]- 176.105676 135.1
[M]+ 155.13046142 135.5
[M]- 155.13155858 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.