CID 178244306

N-chloro-n-methylcyclohexa-1,3,4-trien-1-amine

Structural Information

Molecular Formula
C7H8ClN
SMILES
CN(C1=CC=C=CC1)Cl
InChI
InChI=1S/C7H8ClN/c1-9(8)7-5-3-2-4-6-7/h3-5H,6H2,1H3
InChIKey
USYWNOFXKOHHSX-UHFFFAOYSA-N
Compound name
N-chloro-N-methylcyclohexa-1,3,4-trien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.03453 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 125.0
[M+Na]+ 164.023748 133.4
[M-H]- 140.027254 130.1
[M+NH4]+ 159.068353 147.8
[M+K]+ 179.997688 131.3
[M+H-H2O]+ 124.031790 120.1
[M+HCOO]- 186.032731 147.2
[M+CH3COO]- 200.048381 177.6
[M+Na-2H]- 162.009196 133.4
[M]+ 141.03398142 126.7
[M]- 141.03507858 126.7
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.