CID 409259

Nsc19898

Structural Information

Molecular Formula
C14H28N2O
SMILES
C[N+]1(CCOCC1)CC#CCCC[N+](C)(C)C
InChI
InChI=1S/C14H28N2O/c1-15(2,3)9-7-5-6-8-10-16(4)11-13-17-14-12-16/h5,7,9-14H2,1-4H3/q+2
InChIKey
UFXZGORURRPSKU-UHFFFAOYSA-N
Compound name
trimethyl-[6-(4-methylmorpholin-4-ium-4-yl)hex-4-ynyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.22017 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.22745 155.3
[M+Na]+ 263.20939 161.5
[M-H]- 239.21289 157.2
[M+NH4]+ 258.25399 170.5
[M+K]+ 279.18333 149.5
[M+H-H2O]+ 223.21743 148.1
[M+HCOO]- 285.21837 167.0
[M+CH3COO]- 299.23402 192.3
[M+Na-2H]- 261.19484 164.8
[M]+ 240.21962 147.2
[M]- 240.22072 147.2
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.