CID 16779979

2044872-49-1

Structural Information

Molecular Formula
C8H11NO
SMILES
C1C(CN1)CC2=CC=CO2
InChI
InChI=1S/C8H11NO/c1-2-8(10-3-1)4-7-5-9-6-7/h1-3,7,9H,4-6H2
InChIKey
DSHHIBGQWQWUHT-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.091336 121.0
[M+Na]+ 160.073278 126.8
[M-H]- 136.076784 125.4
[M+NH4]+ 155.117883 134.6
[M+K]+ 176.047218 128.8
[M+H-H2O]+ 120.081320 110.3
[M+HCOO]- 182.082261 141.6
[M+CH3COO]- 196.097911 172.3
[M+Na-2H]- 158.058726 127.8
[M]+ 137.08351142 127.8
[M]- 137.08460858 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.