CID 62385181

3-[(oxan-4-yl)methyl]azetidine hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1COCCC1CC2CNC2
InChI
InChI=1S/C9H17NO/c1-3-11-4-2-8(1)5-9-6-10-7-9/h8-10H,1-7H2
InChIKey
FIJZVMPMSOMGCE-UHFFFAOYSA-N
Compound name
3-(oxan-4-ylmethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 129.4
[M+Na]+ 178.120228 131.9
[M-H]- 154.123734 132.5
[M+NH4]+ 173.164833 140.2
[M+K]+ 194.094168 134.3
[M+H-H2O]+ 138.128270 117.6
[M+HCOO]- 200.129211 144.7
[M+CH3COO]- 214.144861 176.2
[M+Na-2H]- 176.105676 135.1
[M]+ 155.13046142 131.6
[M]- 155.13155858 131.6
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.