CID 47258

2-amino-1-phenylhexan-1-ol--hydrogen chloride (1/1)

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCCC(C(C1=CC=CC=C1)O)N
InChI
InChI=1S/C12H19NO/c1-2-3-9-11(13)12(14)10-7-5-4-6-8-10/h4-8,11-12,14H,2-3,9,13H2,1H3
InChIKey
AHXZVAIUUQKGJE-UHFFFAOYSA-N
Compound name
2-amino-1-phenylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

193.14667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 147.2
[M+Na]+ 216.135888 151.5
[M-H]- 192.139394 148.3
[M+NH4]+ 211.180493 165.2
[M+K]+ 232.109828 149.0
[M+H-H2O]+ 176.143930 141.0
[M+HCOO]- 238.144871 167.9
[M+CH3COO]- 252.160521 185.7
[M+Na-2H]- 214.121336 149.9
[M]+ 193.14612142 144.7
[M]- 193.14721858 144.7
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