CID 13490009

95857-80-0

Structural Information

Molecular Formula
C12H19N3O
SMILES
C1CCN(CC1)CC2C3=C(CCO2)NC=N3
InChI
InChI=1S/C12H19N3O/c1-2-5-15(6-3-1)8-11-12-10(4-7-16-11)13-9-14-12/h9,11H,1-8H2,(H,13,14)
InChIKey
KTYVTYBQKSUQFB-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)-1,4,6,7-tetrahydropyrano[3,4-d]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 151.7
[M+Na]+ 244.14204 155.9
[M-H]- 220.14554 152.8
[M+NH4]+ 239.18664 166.0
[M+K]+ 260.11598 153.1
[M+H-H2O]+ 204.15008 142.3
[M+HCOO]- 266.15102 163.8
[M+CH3COO]- 280.16667 161.2
[M+Na-2H]- 242.12749 155.0
[M]+ 221.15227 144.5
[M]- 221.15337 144.5
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.