CID 55268095

3-(2-chloro-6-methylphenyl)propan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H14ClN
SMILES
CC1=C(C(=CC=C1)Cl)CCCN
InChI
InChI=1S/C10H14ClN/c1-8-4-2-6-10(11)9(8)5-3-7-12/h2,4,6H,3,5,7,12H2,1H3
InChIKey
AUEARRYOHSPIOE-UHFFFAOYSA-N
Compound name
3-(2-chloro-6-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08148 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08876 139.2
[M+Na]+ 206.07070 148.1
[M-H]- 182.07420 142.5
[M+NH4]+ 201.11530 160.1
[M+K]+ 222.04464 143.5
[M+H-H2O]+ 166.07874 134.5
[M+HCOO]- 228.07968 159.3
[M+CH3COO]- 242.09533 184.6
[M+Na-2H]- 204.05615 144.2
[M]+ 183.08093 140.4
[M]- 183.08203 140.4
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.