CID 216551

Brn 1477328

Structural Information

Molecular Formula
C15H19BrN2
SMILES
CC1=C(C=CC(=C1)Br)N=C2CCCN2C=C(C)C
InChI
InChI=1S/C15H19BrN2/c1-11(2)10-18-8-4-5-15(18)17-14-7-6-13(16)9-12(14)3/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
DWKFZCDLUZRRSS-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-methylphenyl)-1-(2-methylprop-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.07315 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08043 167.3
[M+Na]+ 329.06237 177.4
[M-H]- 305.06587 176.2
[M+NH4]+ 324.10697 187.2
[M+K]+ 345.03631 165.2
[M+H-H2O]+ 289.07041 165.6
[M+HCOO]- 351.07135 187.5
[M+CH3COO]- 365.08700 205.8
[M+Na-2H]- 327.04782 168.9
[M]+ 306.07260 184.1
[M]- 306.07370 184.1
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.