CID 3042900

54800-65-6

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]+ 209.21381 154.3
[M+Na]+ 231.19575 159.5
[M-H]- 207.19925 156.6
[M+NH4]+ 226.24035 178.2
[M+K]+ 247.16969 151.0
[M+H-H2O]+ 191.20379 151.5
[M+HCOO]- 253.20473 171.6
[M+CH3COO]- 267.22038 182.1
[M+Na-2H]- 229.18120 156.3
[M]+ 208.20598 149.8
[M]- 208.20708 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.