CID 126970881

2-(furan-2-yl)-3,3-dimethylazetidine

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1(CNC1C2=CC=CO2)C
InChI
InChI=1S/C9H13NO/c1-9(2)6-10-8(9)7-4-3-5-11-7/h3-5,8,10H,6H2,1-2H3
InChIKey
YERKSMSQXWCIAA-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-3,3-dimethylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 127.2
[M+Na]+ 174.08894 134.3
[M-H]- 150.09244 132.3
[M+NH4]+ 169.13354 142.6
[M+K]+ 190.06288 136.1
[M+H-H2O]+ 134.09698 117.8
[M+HCOO]- 196.09792 147.5
[M+CH3COO]- 210.11357 175.8
[M+Na-2H]- 172.07439 133.7
[M]+ 151.09917 135.1
[M]- 151.10027 135.1
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.