CID 3058312

Brn 5018569

Structural Information

Molecular Formula
C12H17N3
SMILES
C1CCN(CC1)C2=NC=C3CCNC3=C2
InChI
InChI=1S/C12H17N3/c1-2-6-15(7-3-1)12-8-11-10(9-14-12)4-5-13-11/h8-9,13H,1-7H2
InChIKey
AWGQRZJVOKJYFO-UHFFFAOYSA-N
Compound name
6-piperidin-1-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 147.3
[M+Na]+ 226.131458 152.5
[M-H]- 202.134964 148.2
[M+NH4]+ 221.176063 163.8
[M+K]+ 242.105398 148.0
[M+H-H2O]+ 186.139500 137.9
[M+HCOO]- 248.140441 161.6
[M+CH3COO]- 262.156091 157.4
[M+Na-2H]- 224.116906 151.1
[M]+ 203.14169142 139.5
[M]- 203.14278858 139.5
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.