CID 65439516

3-(2-chlorophenyl)butan-2-amine hydrochloride

Structural Information

Molecular Formula
C10H14ClN
SMILES
CC(C1=CC=CC=C1Cl)C(C)N
InChI
InChI=1S/C10H14ClN/c1-7(8(2)12)9-5-3-4-6-10(9)11/h3-8H,12H2,1-2H3
InChIKey
XRTIATLANYZUMB-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)butan-2-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 139.8
[M+Na]+ 206.07070 147.2
[M-H]- 182.07420 143.0
[M+NH4]+ 201.11530 160.3
[M+K]+ 222.04464 143.5
[M+H-H2O]+ 166.07874 135.1
[M+HCOO]- 228.07968 158.0
[M+CH3COO]- 242.09533 185.2
[M+Na-2H]- 204.05615 143.1
[M]+ 183.08093 139.5
[M]- 183.08203 139.5
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.