CID 21346

3-(2-piperidylmethyl)indole

Structural Information

Molecular Formula
C14H18N2
SMILES
C1CCNC(C1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-7-14-13(6-1)11(10-16-14)9-12-5-3-4-8-15-12/h1-2,6-7,10,12,15-16H,3-5,8-9H2
InChIKey
NQAIQKCDQAOHIA-UHFFFAOYSA-N
Compound name
3-(piperidin-2-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

214.147 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.154276 148.7
[M+Na]+ 237.136218 154.8
[M-H]- 213.139724 150.2
[M+NH4]+ 232.180823 165.7
[M+K]+ 253.110158 148.5
[M+H-H2O]+ 197.144260 140.5
[M+HCOO]- 259.145201 165.2
[M+CH3COO]- 273.160851 159.2
[M+Na-2H]- 235.121666 153.4
[M]+ 214.14645142 142.2
[M]- 214.14754858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe