CID 57481585

1312784-89-6

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=CN2C
InChI
InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-10-9(7-15)13-8-14(10)4/h8H,5-7H2,1-4H3
InChIKey
DUMAWKAQTHEMJF-UHFFFAOYSA-N
Compound name
tert-butyl 1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

237.14772 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 155.6
[M+Na]+ 260.13694 165.5
[M+NH4]+ 255.18154 161.9
[M+K]+ 276.11088 163.1
[M-H]- 236.14044 154.2
[M+Na-2H]- 258.12239 158.1
[M]+ 237.14717 156.3
[M]- 237.14827 156.3
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

patents stripe