CID 145558

6-phenylhexan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
C1=CC=C(C=C1)CCCCCCN
InChI
InChI=1S/C12H19N/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11,13H2
InChIKey
ZSXRNISZKBBQRN-UHFFFAOYSA-N
Compound name
6-phenylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

609
Patents

177.15175 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.0
[M+Na]+ 200.140968 147.3
[M-H]- 176.144474 144.4
[M+NH4]+ 195.185573 161.6
[M+K]+ 216.114908 144.3
[M+H-H2O]+ 160.149010 135.6
[M+HCOO]- 222.149951 166.0
[M+CH3COO]- 236.165601 184.6
[M+Na-2H]- 198.126416 147.9
[M]+ 177.15120142 141.3
[M]- 177.15229858 141.3
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