CID 223392

2-(diethylamino)-1-phenylethanol

Structural Information

Molecular Formula
C12H19NO
SMILES
CCN(CC)CC(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-3-13(4-2)10-12(14)11-8-6-5-7-9-11/h5-9,12,14H,3-4,10H2,1-2H3
InChIKey
YTVTUNSBFXBFQJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

193.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 146.3
[M+Na]+ 216.135888 151.0
[M-H]- 192.139394 149.3
[M+NH4]+ 211.180493 165.3
[M+K]+ 232.109828 149.7
[M+H-H2O]+ 176.143930 139.7
[M+HCOO]- 238.144871 169.1
[M+CH3COO]- 252.160521 189.0
[M+Na-2H]- 214.121336 150.6
[M]+ 193.14612142 146.7
[M]- 193.14721858 146.7
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