CID 72214249

1414958-79-4

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=CN2
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-7-5-10-9(8-14)4-6-13-10/h4,6,13H,5,7-8H2,1-3H3
InChIKey
UNZQCIQMMSQIKM-UHFFFAOYSA-N
Compound name
tert-butyl 1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.13683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.7
[M+Na]+ 245.12605 161.0
[M+NH4]+ 240.17065 158.6
[M+K]+ 261.09999 158.4
[M-H]- 221.12955 150.6
[M+Na-2H]- 243.11150 154.3
[M]+ 222.13628 152.4
[M]- 222.13738 152.4
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