CID 23352910

(1-amino-2,2-diethylbutyl)benzene

Structural Information

Molecular Formula
C14H23N
SMILES
CCC(CC)(CC)C(C1=CC=CC=C1)N
InChI
InChI=1S/C14H23N/c1-4-14(5-2,6-3)13(15)12-10-8-7-9-11-12/h7-11,13H,4-6,15H2,1-3H3
InChIKey
OHYXIBWEBUQQSL-UHFFFAOYSA-N
Compound name
2,2-diethyl-1-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.190316 151.8
[M+Na]+ 228.172258 156.5
[M-H]- 204.175764 154.3
[M+NH4]+ 223.216863 170.4
[M+K]+ 244.146198 153.8
[M+H-H2O]+ 188.180300 145.7
[M+HCOO]- 250.181241 172.5
[M+CH3COO]- 264.196891 191.8
[M+Na-2H]- 226.157706 155.9
[M]+ 205.18249142 150.7
[M]- 205.18358858 150.7
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