CID 27282031

5-(piperidin-4-yl)-1h-indole

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CNCCC1C2=CC3=C(C=C2)NC=C3
InChI
InChI=1S/C13H16N2/c1-2-13-12(5-8-15-13)9-11(1)10-3-6-14-7-4-10/h1-2,5,8-10,14-15H,3-4,6-7H2
InChIKey
ULMINHJMQWBDGD-UHFFFAOYSA-N
Compound name
5-piperidin-4-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

200.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.2
[M+Na]+ 223.12057 150.7
[M-H]- 199.12407 145.9
[M+NH4]+ 218.16517 161.8
[M+K]+ 239.09451 144.7
[M+H-H2O]+ 183.12861 136.3
[M+HCOO]- 245.12955 161.0
[M+CH3COO]- 259.14520 155.2
[M+Na-2H]- 221.10602 149.4
[M]+ 200.13080 137.4
[M]- 200.13190 137.4
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