CID 10262369

(1-phenylpentan-2-yl)(propyl)amine

Structural Information

Molecular Formula
C14H23N
SMILES
CCCC(CC1=CC=CC=C1)NCCC
InChI
InChI=1S/C14H23N/c1-3-8-14(15-11-4-2)12-13-9-6-5-7-10-13/h5-7,9-10,14-15H,3-4,8,11-12H2,1-2H3
InChIKey
PBENSVGEGPJNFJ-UHFFFAOYSA-N
Compound name
1-phenyl-N-propylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

205.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 151.7
[M+Na]+ 228.172258 155.8
[M-H]- 204.175764 154.2
[M+NH4]+ 223.216863 170.3
[M+K]+ 244.146198 153.0
[M+H-H2O]+ 188.180300 144.8
[M+HCOO]- 250.181241 174.6
[M+CH3COO]- 264.196891 192.2
[M+Na-2H]- 226.157706 156.2
[M]+ 205.18249142 152.0
[M]- 205.18358858 152.0
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