CID 3086493

K-4299

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CN=C(N1)CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C12H14N2O2/c1-3-10-11(16-8-15-10)7-9(1)2-4-12-13-5-6-14-12/h1,3,7H,2,4-6,8H2,(H,13,14)
InChIKey
DVLMUIORAMSEIA-UHFFFAOYSA-N
Compound name
2-[2-(1,3-benzodioxol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11281 146.3
[M+Na]+ 241.09475 153.6
[M-H]- 217.09825 150.9
[M+NH4]+ 236.13935 163.0
[M+K]+ 257.06869 152.3
[M+H-H2O]+ 201.10279 139.4
[M+HCOO]- 263.10373 164.3
[M+CH3COO]- 277.11938 158.6
[M+Na-2H]- 239.08020 150.8
[M]+ 218.10498 145.9
[M]- 218.10608 145.9
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.