CID 200034

Phenethylamine, n-butyl-alpha,alpha-dimethyl-

Structural Information

Molecular Formula
C14H23N
SMILES
CCCCNC(C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C14H23N/c1-4-5-11-15-14(2,3)12-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3
InChIKey
PGOBAFIELXSSPB-UHFFFAOYSA-N
Compound name
N-butyl-2-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 151.1
[M+Na]+ 228.172258 156.0
[M-H]- 204.175764 154.0
[M+NH4]+ 223.216863 170.0
[M+K]+ 244.146198 153.2
[M+H-H2O]+ 188.180300 144.9
[M+HCOO]- 250.181241 173.5
[M+CH3COO]- 264.196891 191.7
[M+Na-2H]- 226.157706 157.5
[M]+ 205.18249142 151.6
[M]- 205.18358858 151.6
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