CID 213798

Brn 1534076

Structural Information

Molecular Formula
C14H17ClN2
SMILES
CC1=C(C=CC(=C1)N=C2CCCN2CC=C)Cl
InChI
InChI=1S/C14H17ClN2/c1-3-8-17-9-4-5-14(17)16-12-6-7-13(15)11(2)10-12/h3,6-7,10H,1,4-5,8-9H2,2H3
InChIKey
IXDBLHJPSZMRTB-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-methylphenyl)-1-prop-2-enylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11531 158.9
[M+Na]+ 271.09725 167.2
[M-H]- 247.10075 165.2
[M+NH4]+ 266.14185 178.1
[M+K]+ 287.07119 161.4
[M+H-H2O]+ 231.10529 151.5
[M+HCOO]- 293.10623 178.0
[M+CH3COO]- 307.12188 197.5
[M+Na-2H]- 269.08270 160.3
[M]+ 248.10748 159.1
[M]- 248.10858 159.1
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.