CID 58366

101425-73-4

Structural Information

Molecular Formula
C16H27N
SMILES
CCCCCCCC(C1=CC=CC=C1)C(C)N
InChI
InChI=1S/C16H27N/c1-3-4-5-6-10-13-16(14(2)17)15-11-8-7-9-12-15/h7-9,11-12,14,16H,3-6,10,13,17H2,1-2H3
InChIKey
CHZSTOWNELKWEC-UHFFFAOYSA-N
Compound name
3-phenyldecan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.21436 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.22164 162.1
[M+Na]+ 256.20358 165.1
[M-H]- 232.20708 163.8
[M+NH4]+ 251.24818 179.2
[M+K]+ 272.17752 161.9
[M+H-H2O]+ 216.21162 154.9
[M+HCOO]- 278.21256 182.6
[M+CH3COO]- 292.22821 198.4
[M+Na-2H]- 254.18903 163.1
[M]+ 233.21381 161.4
[M]- 233.21491 161.4
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.