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

2
Patents

186.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.0
[M+Na]+ 209.10491 147.9
[M-H]- 185.10841 142.6
[M+NH4]+ 204.14951 160.2
[M+K]+ 225.07885 142.6
[M+H-H2O]+ 169.11295 132.9
[M+HCOO]- 231.11389 159.6
[M+CH3COO]- 245.12954 152.3
[M+Na-2H]- 207.09036 144.0
[M]+ 186.11514 135.3
[M]- 186.11624 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