CID 213766

27033-70-1

Structural Information

Molecular Formula
C12H15ClN2
SMILES
CC1=C(C=CC(=C1)Cl)N=C2CCCN2C
InChI
InChI=1S/C12H15ClN2/c1-9-8-10(13)5-6-11(9)14-12-4-3-7-15(12)2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
QIRJKQPTYVJTKT-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.09238 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09966 150.6
[M+Na]+ 245.08160 159.4
[M-H]- 221.08510 157.2
[M+NH4]+ 240.12620 171.0
[M+K]+ 261.05554 154.8
[M+H-H2O]+ 205.08964 143.5
[M+HCOO]- 267.09058 170.2
[M+CH3COO]- 281.10623 192.3
[M+Na-2H]- 243.06705 153.1
[M]+ 222.09183 150.8
[M]- 222.09293 150.8
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.