CID 3021034

85896-15-7

Structural Information

Molecular Formula
C13H19ClN2
SMILES
CN(C1CCCCC1)C2=C(C=C(C=C2)N)Cl
InChI
InChI=1S/C13H19ClN2/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14/h7-9,11H,2-6,15H2,1H3
InChIKey
SZFJCDGNNBDKBT-UHFFFAOYSA-N
Compound name
2-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

238.12367 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.130946 155.5
[M+Na]+ 261.112888 160.6
[M-H]- 237.116394 162.1
[M+NH4]+ 256.157493 173.7
[M+K]+ 277.086828 156.5
[M+H-H2O]+ 221.120930 148.7
[M+HCOO]- 283.121871 173.2
[M+CH3COO]- 297.137521 198.6
[M+Na-2H]- 259.098336 157.9
[M]+ 238.12312142 151.7
[M]- 238.12421858 151.7
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

patents stripe