CID 115410

63951-01-9

Structural Information

Molecular Formula
C11H17N
SMILES
CCCC(CC1=CC=CC=C1)N
InChI
InChI=1S/C11H17N/c1-2-6-11(12)9-10-7-4-3-5-8-10/h3-5,7-8,11H,2,6,9,12H2,1H3
InChIKey
VXGQDFOHLMAZIV-UHFFFAOYSA-N
Compound name
1-phenylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

93
Patents

163.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 138.3
[M+Na]+ 186.12532 143.7
[M-H]- 162.12882 141.0
[M+NH4]+ 181.16992 158.4
[M+K]+ 202.09926 141.4
[M+H-H2O]+ 146.13336 132.2
[M+HCOO]- 208.13430 161.6
[M+CH3COO]- 222.14995 182.4
[M+Na-2H]- 184.11077 143.4
[M]+ 163.13555 136.5
[M]- 163.13665 136.5
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