CID 29448

3-(1-methyl-2-pyrrolidinyl)indol-5-ol

Structural Information

Molecular Formula
C13H16N2O
SMILES
CN1CCCC1C2=CNC3=C2C=C(C=C3)O
InChI
InChI=1S/C13H16N2O/c1-15-6-2-3-13(15)11-8-14-12-5-4-9(16)7-10(11)12/h4-5,7-8,13-14,16H,2-3,6H2,1H3
InChIKey
HHBINXFSYMUNAH-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-2-yl)-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.3
[M+Na]+ 239.11549 157.5
[M-H]- 215.11899 151.5
[M+NH4]+ 234.16009 167.9
[M+K]+ 255.08943 152.4
[M+H-H2O]+ 199.12353 141.5
[M+HCOO]- 261.12447 167.7
[M+CH3COO]- 275.14012 160.7
[M+Na-2H]- 237.10094 150.3
[M]+ 216.12572 146.1
[M]- 216.12682 146.1
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.