CID 45588

1-methyl-3-(2-pyrrolidinyl)indole hydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CN1C=C(C2=CC=CC=C21)C3CCCN3
InChI
InChI=1S/C13H16N2/c1-15-9-11(12-6-4-8-14-12)10-5-2-3-7-13(10)15/h2-3,5,7,9,12,14H,4,6,8H2,1H3
InChIKey
MHUGNQWXLUJVNZ-UHFFFAOYSA-N
Compound name
1-methyl-3-pyrrolidin-2-ylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

200.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 144.7
[M+Na]+ 223.12057 153.5
[M-H]- 199.12407 148.8
[M+NH4]+ 218.16517 165.3
[M+K]+ 239.09451 148.8
[M+H-H2O]+ 183.12861 137.4
[M+HCOO]- 245.12955 165.4
[M+CH3COO]- 259.14520 157.5
[M+Na-2H]- 221.10602 147.7
[M]+ 200.13080 142.5
[M]- 200.13190 142.5
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