CID 55911

1-indolyl-3-isopropylmethylpropargylamine hydrobromide hydrate

Structural Information

Molecular Formula
C15H18N2
SMILES
CC(CC1=CNC2=CC=CC=C21)N(C)CC#C
InChI
InChI=1S/C15H18N2/c1-4-9-17(3)12(2)10-13-11-16-15-8-6-5-7-14(13)15/h1,5-8,11-12,16H,9-10H2,2-3H3
InChIKey
YBSNMTKOPMOXSG-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-N-methyl-N-prop-2-ynylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

226.147 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 158.1
[M+Na]+ 249.13622 167.6
[M-H]- 225.13972 158.9
[M+NH4]+ 244.18082 175.1
[M+K]+ 265.11016 161.1
[M+H-H2O]+ 209.14426 144.5
[M+HCOO]- 271.14520 174.4
[M+CH3COO]- 285.16085 201.8
[M+Na-2H]- 247.12167 160.4
[M]+ 226.14645 153.4
[M]- 226.14755 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe