CID 213844

Brn 1535957

Structural Information

Molecular Formula
C14H17BrN2
SMILES
CC1=C(C=CC(=C1)Br)N=C2CCCN2CC=C
InChI
InChI=1S/C14H17BrN2/c1-3-8-17-9-4-5-14(17)16-13-7-6-12(15)10-11(13)2/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKey
FFPSVZNBMMGPOC-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0575 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06478 161.9
[M+Na]+ 315.04672 172.6
[M-H]- 291.05022 170.9
[M+NH4]+ 310.09132 182.3
[M+K]+ 331.02066 160.2
[M+H-H2O]+ 275.05476 160.3
[M+HCOO]- 337.05570 183.4
[M+CH3COO]- 351.07135 202.8
[M+Na-2H]- 313.03217 165.2
[M]+ 292.05695 179.0
[M]- 292.05805 179.0
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.