CID 63748803

4-[(piperazin-1-yl)methyl]-1h-indole dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CN(CCN1)CC2=C3C=CNC3=CC=C2
InChI
InChI=1S/C13H17N3/c1-2-11(10-16-8-6-14-7-9-16)12-4-5-15-13(12)3-1/h1-5,14-15H,6-10H2
InChIKey
COUJQDCXQPRAKR-UHFFFAOYSA-N
Compound name
4-(piperazin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

215.14224 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 148.9
[M+Na]+ 238.13146 155.4
[M-H]- 214.13496 149.1
[M+NH4]+ 233.17606 164.4
[M+K]+ 254.10540 149.2
[M+H-H2O]+ 198.13950 139.9
[M+HCOO]- 260.14044 164.3
[M+CH3COO]- 274.15609 159.0
[M+Na-2H]- 236.11691 154.0
[M]+ 215.14169 142.6
[M]- 215.14279 142.6
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