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

2
Patents

205.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.19032 151.1
[M+Na]+ 228.17226 156.0
[M-H]- 204.17576 154.0
[M+NH4]+ 223.21686 170.0
[M+K]+ 244.14620 153.2
[M+H-H2O]+ 188.18030 144.9
[M+HCOO]- 250.18124 173.5
[M+CH3COO]- 264.19689 191.7
[M+Na-2H]- 226.15771 157.5
[M]+ 205.18249 151.6
[M]- 205.18359 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