CID 20561659

1-(dimethylamino)-2-phenylbutan-2-ol

Structural Information

Molecular Formula
C12H19NO
SMILES
CCC(CN(C)C)(C1=CC=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-4-12(14,10-13(2)3)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3
InChIKey
TXXOHRYHPSLKNY-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-2-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.14667 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.4
[M+Na]+ 216.135888 150.8
[M-H]- 192.139394 148.7
[M+NH4]+ 211.180493 164.7
[M+K]+ 232.109828 149.6
[M+H-H2O]+ 176.143930 139.4
[M+HCOO]- 238.144871 167.7
[M+CH3COO]- 252.160521 188.4
[M+Na-2H]- 214.121336 151.7
[M]+ 193.14612142 146.0
[M]- 193.14721858 146.0
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