CID 3050497

66513-69-7

Structural Information

Molecular Formula
C10H17BrN
SMILES
C=C1CC[N+]2(C1CCC2)CCBr
InChI
InChI=1S/C10H17BrN/c1-9-4-7-12(8-5-11)6-2-3-10(9)12/h10H,1-8H2/q+1
InChIKey
NRVPXCJDZQJHTQ-UHFFFAOYSA-N
Compound name
4-(2-bromoethyl)-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

230.05444 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06172 152.2
[M+Na]+ 253.04366 163.1
[M-H]- 229.04716 157.9
[M+NH4]+ 248.08826 178.8
[M+K]+ 269.01760 147.2
[M+H-H2O]+ 213.05170 155.9
[M+HCOO]- 275.05264 169.9
[M+CH3COO]- 289.06829 180.2
[M+Na-2H]- 251.02911 158.2
[M]+ 230.05389 166.4
[M]- 230.05499 166.4
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.