CID 210882

Indole, 3-((methyl-2-propynylamino)methyl)-, oxalate (1:1)

Structural Information

Molecular Formula
C13H14N2
SMILES
CN(CC#C)CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H14N2/c1-3-8-15(2)10-11-9-14-13-7-5-4-6-12(11)13/h1,4-7,9,14H,8,10H2,2H3
InChIKey
LRXPYCZVVIRGRT-UHFFFAOYSA-N
Compound name
N-(1H-indol-3-ylmethyl)-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 147.2
[M+Na]+ 221.10491 159.5
[M+NH4]+ 216.14951 152.4
[M+K]+ 237.07885 150.6
[M-H]- 197.10841 141.6
[M+Na-2H]- 219.09036 150.7
[M]+ 198.11514 146.5
[M]- 198.11624 146.5
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

No patent data available for this compound.