CID 3022055

P-(alpha-(dimethylamino)phenethyl)phenol hydrochloride

Structural Information

Molecular Formula
C16H19NO
SMILES
CN(C)C(CC1=CC=CC=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C16H19NO/c1-17(2)16(12-13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16,18H,12H2,1-2H3
InChIKey
JGXGMOKBRQTLDE-UHFFFAOYSA-N
Compound name
4-[1-(dimethylamino)-2-phenylethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.8
[M+Na]+ 264.13589 162.0
[M-H]- 240.13939 163.2
[M+NH4]+ 259.18049 173.7
[M+K]+ 280.10983 159.1
[M+H-H2O]+ 224.14393 149.0
[M+HCOO]- 286.14487 179.7
[M+CH3COO]- 300.16052 197.8
[M+Na-2H]- 262.12134 161.0
[M]+ 241.14612 156.4
[M]- 241.14722 156.4
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.