CID 46268

Benzyl alcohol, alpha-(1-aminoheptyl)-, hydrochloride

Structural Information

Molecular Formula
C14H23NO
SMILES
CCCCCCC(C(C1=CC=CC=C1)O)N
InChI
InChI=1S/C14H23NO/c1-2-3-4-8-11-13(15)14(16)12-9-6-5-7-10-12/h5-7,9-10,13-14,16H,2-4,8,11,15H2,1H3
InChIKey
QJTHXZQVXLUYAM-UHFFFAOYSA-N
Compound name
2-amino-1-phenyloctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

221.17796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 156.4
[M+Na]+ 244.16718 159.8
[M-H]- 220.17068 157.1
[M+NH4]+ 239.21178 173.3
[M+K]+ 260.14112 156.8
[M+H-H2O]+ 204.17522 149.7
[M+HCOO]- 266.17616 176.4
[M+CH3COO]- 280.19181 191.7
[M+Na-2H]- 242.15263 158.0
[M]+ 221.17741 154.6
[M]- 221.17851 154.6
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