CID 18893

3414-76-4

Structural Information

Molecular Formula
C14H19N3
SMILES
C1CCN(CC1)CC2=CNC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H19N3/c15-12-4-5-14-13(8-12)11(9-16-14)10-17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7,10,15H2
InChIKey
BNBTUHDEDADTFG-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 152.0
[M+Na]+ 252.147118 158.6
[M-H]- 228.150624 154.7
[M+NH4]+ 247.191723 168.9
[M+K]+ 268.121058 152.8
[M+H-H2O]+ 212.155160 143.5
[M+HCOO]- 274.156101 170.4
[M+CH3COO]- 288.171751 162.8
[M+Na-2H]- 250.132566 156.0
[M]+ 229.15735142 146.2
[M]- 229.15844858 146.2
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.