CID 3829053

3-phenylpentan-3-amine hydrochloride

Structural Information

Molecular Formula
C11H17N
SMILES
CCC(CC)(C1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9H,3-4,12H2,1-2H3
InChIKey
JOGPHRRMASCZSC-UHFFFAOYSA-N
Compound name
3-phenylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1186
Patents

163.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 137.7
[M+Na]+ 186.12532 143.9
[M-H]- 162.12882 140.6
[M+NH4]+ 181.16992 158.0
[M+K]+ 202.09926 141.5
[M+H-H2O]+ 146.13336 132.2
[M+HCOO]- 208.13430 160.5
[M+CH3COO]- 222.14995 181.9
[M+Na-2H]- 184.11077 144.7
[M]+ 163.13555 136.1
[M]- 163.13665 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe