CID 344837

4-(dimethylamino)benzhydrol

Structural Information

Molecular Formula
C15H17NO
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO/c1-16(2)14-10-8-13(9-11-14)15(17)12-6-4-3-5-7-12/h3-11,15,17H,1-2H3
InChIKey
ZCFIOPJQDOOQQE-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

227.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 152.1
[M+Na]+ 250.12023 157.7
[M-H]- 226.12373 158.7
[M+NH4]+ 245.16483 169.6
[M+K]+ 266.09417 155.1
[M+H-H2O]+ 210.12827 144.6
[M+HCOO]- 272.12921 175.4
[M+CH3COO]- 286.14486 194.8
[M+Na-2H]- 248.10568 156.9
[M]+ 227.13046 151.4
[M]- 227.13156 151.4
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