CID 216553

Brn 1474604

Structural Information

Molecular Formula
C14H17ClN2
SMILES
CC(=CN1CCCC1=NC2=CC=CC=C2Cl)C
InChI
InChI=1S/C14H17ClN2/c1-11(2)10-17-9-5-8-14(17)16-13-7-4-3-6-12(13)15/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKey
YBLMWQPMYCSAAE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-1-(2-methylprop-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.10803 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11531 159.5
[M+Na]+ 271.09725 166.7
[M-H]- 247.10075 165.6
[M+NH4]+ 266.14185 178.5
[M+K]+ 287.07119 161.4
[M+H-H2O]+ 231.10529 152.0
[M+HCOO]- 293.10623 177.7
[M+CH3COO]- 307.12188 196.5
[M+Na-2H]- 269.08270 160.5
[M]+ 248.10748 158.7
[M]- 248.10858 158.7
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.