CID 63203924

2138236-20-9

Structural Information

Molecular Formula
C8H11NO
SMILES
C1C(CN1)CC2=COC=C2
InChI
InChI=1S/C8H11NO/c1-2-10-6-7(1)3-8-4-9-5-8/h1-2,6,8-9H,3-5H2
InChIKey
VFGCRFMPFDFAOS-UHFFFAOYSA-N
Compound name
3-(furan-3-ylmethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 121.0
[M+Na]+ 160.07328 126.8
[M-H]- 136.07678 125.4
[M+NH4]+ 155.11788 134.6
[M+K]+ 176.04722 128.8
[M+H-H2O]+ 120.08132 110.3
[M+HCOO]- 182.08226 141.6
[M+CH3COO]- 196.09791 172.3
[M+Na-2H]- 158.05873 127.8
[M]+ 137.08351 127.8
[M]- 137.08461 127.8
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.