CID 6448614

4-(5-butoxy-4-penten-2-ynyl)-4-methylmorpholinium iodide

Structural Information

Molecular Formula
C14H24NO2
SMILES
CCCCO/C=C/C#CC[N+]1(CCOCC1)C
InChI
InChI=1S/C14H24NO2/c1-3-4-11-16-12-7-5-6-8-15(2)9-13-17-14-10-15/h7,12H,3-4,8-11,13-14H2,1-2H3/q+1/b12-7+
InChIKey
PGNLAUGKLCFNHI-KPKJPENVSA-N
Compound name
4-[(E)-5-butoxypent-4-en-2-ynyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.18071 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18799 152.5
[M+Na]+ 261.16993 159.5
[M-H]- 237.17343 152.9
[M+NH4]+ 256.21453 167.6
[M+K]+ 277.14387 150.9
[M+H-H2O]+ 221.17797 142.5
[M+HCOO]- 283.17891 164.4
[M+CH3COO]- 297.19456 190.5
[M+Na-2H]- 259.15538 158.9
[M]+ 238.18016 146.0
[M]- 238.18126 146.0
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.