CID 3042900

Dtxsid20970150

Structural Information

Molecular Formula
C14H26N
SMILES
CCCC(CC)[N+]12CCCC1C(=C)CC2
InChI
InChI=1S/C14H26N/c1-4-7-13(5-2)15-10-6-8-14(15)12(3)9-11-15/h13-14H,3-11H2,1-2H3/q+1
InChIKey
HKVNJUVRXDHGHH-UHFFFAOYSA-N
Compound name
4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.20653 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.213806 154.3
[M+Na]+ 231.195748 159.5
[M-H]- 207.199254 156.6
[M+NH4]+ 226.240353 178.2
[M+K]+ 247.169688 151.0
[M+H-H2O]+ 191.203790 151.5
[M+HCOO]- 253.204731 171.6
[M+CH3COO]- 267.220381 182.1
[M+Na-2H]- 229.181196 156.3
[M]+ 208.20598142 149.8
[M]- 208.20707858 149.8
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.