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]+ 222.160096 151.7
[M+Na]+ 244.142038 155.9
[M-H]- 220.145544 152.8
[M+NH4]+ 239.186643 166.0
[M+K]+ 260.115978 153.1
[M+H-H2O]+ 204.150080 142.3
[M+HCOO]- 266.151021 163.8
[M+CH3COO]- 280.166671 161.2
[M+Na-2H]- 242.127486 155.0
[M]+ 221.15227142 144.5
[M]- 221.15336858 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.