CID 113518

99573-84-9

Structural Information

Molecular Formula
C11H19N3O2
SMILES
C1CC(C(=O)OC1)CC2=NCCN2CCN
InChI
InChI=1S/C11H19N3O2/c12-3-5-14-6-4-13-10(14)8-9-2-1-7-16-11(9)15/h9H,1-8,12H2
InChIKey
LKRSUEODZDWQAF-UHFFFAOYSA-N
Compound name
3-[[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]methyl]oxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.14772 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 152.7
[M+Na]+ 248.136938 157.6
[M-H]- 224.140444 155.9
[M+NH4]+ 243.181543 167.8
[M+K]+ 264.110878 156.1
[M+H-H2O]+ 208.144980 144.2
[M+HCOO]- 270.145921 170.5
[M+CH3COO]- 284.161571 189.5
[M+Na-2H]- 246.122386 154.4
[M]+ 225.14717142 148.6
[M]- 225.14826858 148.6
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.