CID 3046514

4-(2-biphenylyloxy)butylamine hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2OCCCCN
InChI
InChI=1S/C16H19NO/c17-12-6-7-13-18-16-11-5-4-10-15(16)14-8-2-1-3-9-14/h1-5,8-11H,6-7,12-13,17H2
InChIKey
LDGODDJVNYTZPI-UHFFFAOYSA-N
Compound name
4-(2-phenylphenoxy)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

241.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.4
[M+Na]+ 264.13589 162.2
[M-H]- 240.13939 162.1
[M+NH4]+ 259.18049 173.2
[M+K]+ 280.10983 157.9
[M+H-H2O]+ 224.14393 148.5
[M+HCOO]- 286.14487 180.8
[M+CH3COO]- 300.16052 195.4
[M+Na-2H]- 262.12134 162.0
[M]+ 241.14612 156.3
[M]- 241.14722 156.3
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