CID 3050495

66513-68-6

Structural Information

Molecular Formula
C10H17ClN
SMILES
C=C1CC[N+]2(C1CCC2)CCCl
InChI
InChI=1S/C10H17ClN/c1-9-4-7-12(8-5-11)6-2-3-10(9)12/h10H,1-8H2/q+1
InChIKey
SRTFWPYVTFOKEF-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)-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

186.10495 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.11223 143.6
[M+Na]+ 209.09417 151.3
[M-H]- 185.09767 146.0
[M+NH4]+ 204.13877 169.1
[M+K]+ 225.06811 141.5
[M+H-H2O]+ 169.10221 141.4
[M+HCOO]- 231.10315 158.5
[M+CH3COO]- 245.11880 173.3
[M+Na-2H]- 207.07962 148.1
[M]+ 186.10440 140.0
[M]- 186.10550 140.0
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.