CID 82669037

4-chloro-3-methyl-n-propylaniline hydrochloride

Structural Information

Molecular Formula
C10H14ClN
SMILES
CCCNC1=CC(=C(C=C1)Cl)C
InChI
InChI=1S/C10H14ClN/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKey
SCWLJOBSLWCBFB-UHFFFAOYSA-N
Compound name
4-chloro-3-methyl-N-propylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08148 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08876 138.6
[M+Na]+ 206.07070 147.4
[M-H]- 182.07420 142.4
[M+NH4]+ 201.11530 159.8
[M+K]+ 222.04464 143.2
[M+H-H2O]+ 166.07874 133.9
[M+HCOO]- 228.07968 159.3
[M+CH3COO]- 242.09533 185.3
[M+Na-2H]- 204.05615 144.7
[M]+ 183.08093 140.9
[M]- 183.08203 140.9
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.