CID 3039756

Brn 1482956

Structural Information

Molecular Formula
C14H16Br2N2
SMILES
CC(=CN1CCCC1=NC2=C(C=C(C=C2)Br)Br)C
InChI
InChI=1S/C14H16Br2N2/c1-10(2)9-18-7-3-4-14(18)17-13-6-5-11(15)8-12(13)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKey
KTHLVNIYVROHND-UHFFFAOYSA-N
Compound name
N-(2,4-dibromophenyl)-1-(2-methylprop-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.96802 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.97530 165.2
[M+Na]+ 392.95724 174.8
[M-H]- 368.96074 174.1
[M+NH4]+ 388.00184 182.9
[M+K]+ 408.93118 158.7
[M+H-H2O]+ 352.96528 171.8
[M+HCOO]- 414.96622 180.5
[M+CH3COO]- 428.98187 216.9
[M+Na-2H]- 390.94269 167.6
[M]+ 369.96747 197.3
[M]- 369.96857 197.3
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.