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 148.5
[M+Na]+ 221.10491 159.1
[M-H]- 197.10841 149.6
[M+NH4]+ 216.14951 166.6
[M+K]+ 237.07885 152.7
[M+H-H2O]+ 181.11295 135.2
[M+HCOO]- 243.11389 166.4
[M+CH3COO]- 257.12954 159.5
[M+Na-2H]- 219.09036 153.0
[M]+ 198.11514 143.8
[M]- 198.11624 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.