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]+ 204.14952 147.3
[M+Na]+ 226.13146 152.5
[M-H]- 202.13496 148.2
[M+NH4]+ 221.17606 163.8
[M+K]+ 242.10540 148.0
[M+H-H2O]+ 186.13950 137.9
[M+HCOO]- 248.14044 161.6
[M+CH3COO]- 262.15609 157.4
[M+Na-2H]- 224.11691 151.1
[M]+ 203.14169 139.5
[M]- 203.14279 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.