CID 57039096

2-(pyrrolidin-3-yl)-1h-indole

Structural Information

Molecular Formula
C12H14N2
SMILES
C1CNCC1C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C12H14N2/c1-2-4-11-9(3-1)7-12(14-11)10-5-6-13-8-10/h1-4,7,10,13-14H,5-6,8H2
InChIKey
TVUKIIHOCPRYQF-UHFFFAOYSA-N
Compound name
2-pyrrolidin-3-yl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.0
[M+Na]+ 209.104908 147.9
[M-H]- 185.108414 142.6
[M+NH4]+ 204.149513 160.2
[M+K]+ 225.078848 142.6
[M+H-H2O]+ 169.112950 132.9
[M+HCOO]- 231.113891 159.6
[M+CH3COO]- 245.129541 152.3
[M+Na-2H]- 207.090356 144.0
[M]+ 186.11514142 135.3
[M]- 186.11623858 135.3
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