CID 47003280

3-(4-chlorophenyl)pentan-3-amine hydrochloride

Structural Information

Molecular Formula
C11H16ClN
SMILES
CCC(CC)(C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C11H16ClN/c1-3-11(13,4-2)9-5-7-10(12)8-6-9/h5-8H,3-4,13H2,1-2H3
InChIKey
HTENYNLAYZIWRS-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)pentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.09712 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.104396 144.5
[M+Na]+ 220.086338 152.4
[M-H]- 196.089844 147.6
[M+NH4]+ 215.130943 164.6
[M+K]+ 236.060278 147.9
[M+H-H2O]+ 180.094380 139.8
[M+HCOO]- 242.095321 162.6
[M+CH3COO]- 256.110971 186.8
[M+Na-2H]- 218.071786 150.2
[M]+ 197.09657142 145.2
[M]- 197.09766858 145.2
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