CID 83670553

Tert-butyl 1h,4h,5h,6h,7h-pyrrolo[2,3-c]pyridine-1-carboxylate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1CNCC2
InChI
InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-7-5-9-4-6-13-8-10(9)14/h5,7,13H,4,6,8H2,1-3H3
InChIKey
PBKDBLUHEXVHTM-UHFFFAOYSA-N
Compound name
tert-butyl 4,5,6,7-tetrahydropyrrolo[2,3-c]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 153.7
[M+Na]+ 245.126048 160.2
[M-H]- 221.129554 153.8
[M+NH4]+ 240.170653 171.7
[M+K]+ 261.099988 157.7
[M+H-H2O]+ 205.134090 147.3
[M+HCOO]- 267.135031 169.0
[M+CH3COO]- 281.150681 184.7
[M+Na-2H]- 243.111496 157.3
[M]+ 222.13628142 151.7
[M]- 222.13737858 151.7
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.