CID 427384

Nsc 211503

Structural Information

Molecular Formula
C12H22N
SMILES
CC(C)C[N+]12CCCC1C(=C)CC2
InChI
InChI=1S/C12H22N/c1-10(2)9-13-7-4-5-12(13)11(3)6-8-13/h10,12H,3-9H2,1-2H3/q+1
InChIKey
RRYTXTXVEOAGSS-UHFFFAOYSA-N
Compound name
7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.17523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.18251 144.9
[M+Na]+ 203.16445 151.0
[M-H]- 179.16795 147.6
[M+NH4]+ 198.20905 170.0
[M+K]+ 219.13839 143.0
[M+H-H2O]+ 163.17249 142.4
[M+HCOO]- 225.17343 162.9
[M+CH3COO]- 239.18908 176.1
[M+Na-2H]- 201.14990 148.0
[M]+ 180.17468 139.8
[M]- 180.17578 139.8
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.