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]+ 198.10440 144.5
[M+Na]+ 220.08634 152.4
[M-H]- 196.08984 147.6
[M+NH4]+ 215.13094 164.6
[M+K]+ 236.06028 147.9
[M+H-H2O]+ 180.09438 139.8
[M+HCOO]- 242.09532 162.6
[M+CH3COO]- 256.11097 186.8
[M+Na-2H]- 218.07179 150.2
[M]+ 197.09657 145.2
[M]- 197.09767 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