CID 409389

Nsc20817

Structural Information

Molecular Formula
C13H26N2
SMILES
C[N+]1(CCCC1)CC#CCC[N+](C)(C)C
InChI
InChI=1S/C13H26N2/c1-14(2,3)10-6-5-7-11-15(4)12-8-9-13-15/h6,8-13H2,1-4H3/q+2
InChIKey
WGUJGPBOLBEKQO-UHFFFAOYSA-N
Compound name
trimethyl-[5-(1-methylpyrrolidin-1-ium-1-yl)pent-3-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.2096 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.21688 152.4
[M+Na]+ 233.19882 159.9
[M-H]- 209.20232 154.2
[M+NH4]+ 228.24342 171.4
[M+K]+ 249.17276 146.5
[M+H-H2O]+ 193.20686 145.4
[M+HCOO]- 255.20780 166.7
[M+CH3COO]- 269.22345 187.9
[M+Na-2H]- 231.18427 160.1
[M]+ 210.20905 143.9
[M]- 210.21015 143.9
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.