CID 13490013

95858-97-2

Structural Information

Molecular Formula
C14H23N3O
SMILES
CCN1C=NC2=C1CCOC2CNC3CCCC3
InChI
InChI=1S/C14H23N3O/c1-2-17-10-16-14-12(17)7-8-18-13(14)9-15-11-5-3-4-6-11/h10-11,13,15H,2-9H2,1H3
InChIKey
DPKYSJWOFGLDQM-UHFFFAOYSA-N
Compound name
N-[(1-ethyl-6,7-dihydro-4H-pyrano[3,4-d]imidazol-4-yl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.18411 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.191386 159.1
[M+Na]+ 272.173328 163.7
[M-H]- 248.176834 163.6
[M+NH4]+ 267.217933 176.3
[M+K]+ 288.147268 161.6
[M+H-H2O]+ 232.181370 150.9
[M+HCOO]- 294.182311 176.7
[M+CH3COO]- 308.197961 169.7
[M+Na-2H]- 270.158776 160.2
[M]+ 249.18356142 155.9
[M]- 249.18465858 155.9
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.