CID 21478

5379-94-2

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCN(C1)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-2-6-13-12(5-1)11(9-14-13)10-15-7-3-4-8-15/h1-2,5-6,9,14H,3-4,7-8,10H2
InChIKey
ZIIMZMSKBKAABD-UHFFFAOYSA-N
Compound name
3-(pyrrolidin-1-ylmethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.4
[M+Na]+ 223.12057 152.3
[M-H]- 199.12407 148.1
[M+NH4]+ 218.16517 164.7
[M+K]+ 239.09451 147.6
[M+H-H2O]+ 183.12861 136.7
[M+HCOO]- 245.12955 165.1
[M+CH3COO]- 259.14520 156.9
[M+Na-2H]- 221.10602 148.2
[M]+ 200.13080 141.8
[M]- 200.13190 141.8
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