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]+ 199.122966 148.5
[M+Na]+ 221.104908 159.1
[M-H]- 197.108414 149.6
[M+NH4]+ 216.149513 166.6
[M+K]+ 237.078848 152.7
[M+H-H2O]+ 181.112950 135.2
[M+HCOO]- 243.113891 166.4
[M+CH3COO]- 257.129541 159.5
[M+Na-2H]- 219.090356 153.0
[M]+ 198.11514142 143.8
[M]- 198.11623858 143.8
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.