CID 216522

Brn 1466432

Structural Information

Molecular Formula
C15H19ClN2
SMILES
CC1=CC(=C(C=C1)Cl)N=C2CCCN2C=C(C)C
InChI
InChI=1S/C15H19ClN2/c1-11(2)10-18-8-4-5-15(18)17-14-9-12(3)6-7-13(14)16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKey
VAIBGRJLJIOHSH-UHFFFAOYSA-N
Compound name
N-(2-chloro-5-methylphenyl)-1-(2-methylprop-1-enyl)pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1237 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13098 163.8
[M+Na]+ 285.11292 171.4
[M-H]- 261.11642 170.1
[M+NH4]+ 280.15752 182.5
[M+K]+ 301.08686 165.9
[M+H-H2O]+ 245.12096 156.4
[M+HCOO]- 307.12190 181.6
[M+CH3COO]- 321.13755 200.6
[M+Na-2H]- 283.09837 163.5
[M]+ 262.12315 163.7
[M]- 262.12425 163.7
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.