CID 21871958

Ethyl(2-phenylbutyl)amine

Structural Information

Molecular Formula
C12H19N
SMILES
CCC(CNCC)C1=CC=CC=C1
InChI
InChI=1S/C12H19N/c1-3-11(10-13-4-2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChIKey
CKDGQUSKFUAVSS-UHFFFAOYSA-N
Compound name
N-ethyl-2-phenylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

177.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.15903 142.4
[M+Na]+ 200.14097 147.4
[M-H]- 176.14447 145.4
[M+NH4]+ 195.18557 162.2
[M+K]+ 216.11491 145.2
[M+H-H2O]+ 160.14901 136.0
[M+HCOO]- 222.14995 166.0
[M+CH3COO]- 236.16560 186.1
[M+Na-2H]- 198.12642 148.0
[M]+ 177.15120 142.0
[M]- 177.15230 142.0
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