CID 60819355

Ethyl(1-phenylpentan-2-yl)amine

Structural Information

Molecular Formula
C13H21N
SMILES
CCCC(CC1=CC=CC=C1)NCC
InChI
InChI=1S/C13H21N/c1-3-8-13(14-4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13-14H,3-4,8,11H2,1-2H3
InChIKey
LLTXYACYGSURSM-UHFFFAOYSA-N
Compound name
N-ethyl-1-phenylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 147.0
[M+Na]+ 214.15662 151.6
[M-H]- 190.16012 149.8
[M+NH4]+ 209.20122 166.3
[M+K]+ 230.13056 149.1
[M+H-H2O]+ 174.16466 140.4
[M+HCOO]- 236.16560 170.3
[M+CH3COO]- 250.18125 189.2
[M+Na-2H]- 212.14207 152.1
[M]+ 191.16685 147.0
[M]- 191.16795 147.0
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

No patent data available for this compound.