CID 3057455

2-(4-bromophenylimino)-1-methylpyrrolidine

Structural Information

Molecular Formula
C11H13BrN2
SMILES
CN1CCCC1=NC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrN2/c1-14-8-2-3-11(14)13-10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3
InChIKey
XCOCQTYRRPGNED-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.02621 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.033486 149.9
[M+Na]+ 275.015428 160.7
[M-H]- 251.018934 159.0
[M+NH4]+ 270.060033 171.6
[M+K]+ 290.989368 149.6
[M+H-H2O]+ 235.023470 148.6
[M+HCOO]- 297.024411 172.2
[M+CH3COO]- 311.040061 194.1
[M+Na-2H]- 273.000876 155.4
[M]+ 252.02566142 166.3
[M]- 252.02675858 166.3
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.