CID 3039761

Brn 1485273

Structural Information

Molecular Formula
C16H21ClN2
SMILES
CC/C(=C/N1CCCC1=NC2=C(C=C(C=C2)Cl)C)/C
InChI
InChI=1S/C16H21ClN2/c1-4-12(2)11-19-9-5-6-16(19)18-15-8-7-14(17)10-13(15)3/h7-8,10-11H,4-6,9H2,1-3H3/b12-11+,18-16?
InChIKey
VWIGWNGAZCEWIG-CKHUDSFZSA-N
Compound name
N-(4-chloro-2-methylphenyl)-1-[(E)-2-methylbut-1-enyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1393 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14658 168.4
[M+Na]+ 299.12852 175.6
[M-H]- 275.13202 174.5
[M+NH4]+ 294.17312 186.5
[M+K]+ 315.10246 169.8
[M+H-H2O]+ 259.13656 160.8
[M+HCOO]- 321.13750 185.9
[M+CH3COO]- 335.15315 203.6
[M+Na-2H]- 297.11397 167.6
[M]+ 276.13875 168.7
[M]- 276.13985 168.7
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.