CID 3042878

54774-51-5

Structural Information

Molecular Formula
C11H20N
SMILES
CC(C)[N+]12CCCC1C(=C)CC2
InChI
InChI=1S/C11H20N/c1-9(2)12-7-4-5-11(12)10(3)6-8-12/h9,11H,3-8H2,1-2H3/q+1
InChIKey
HOTGQXKNYBSMDW-UHFFFAOYSA-N
Compound name
7-methylidene-4-propan-2-yl-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.15958 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.16686 140.2
[M+Na]+ 189.14880 146.7
[M-H]- 165.15230 143.1
[M+NH4]+ 184.19340 165.8
[M+K]+ 205.12274 139.0
[M+H-H2O]+ 149.15684 137.9
[M+HCOO]- 211.15778 158.5
[M+CH3COO]- 225.17343 173.1
[M+Na-2H]- 187.13425 143.9
[M]+ 166.15903 134.7
[M]- 166.16013 134.7
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.