CID 229629

Alpha-(n-methylanilinomethyl)benzyl alcohol hydrochloride

Structural Information

Molecular Formula
C15H17NO
SMILES
CN(CC(C1=CC=CC=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C15H17NO/c1-16(14-10-6-3-7-11-14)12-15(17)13-8-4-2-5-9-13/h2-11,15,17H,12H2,1H3
InChIKey
UTFKRKIKZZXSDC-UHFFFAOYSA-N
Compound name
2-(N-methylanilino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

227.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 152.4
[M+Na]+ 250.12023 157.0
[M-H]- 226.12373 158.6
[M+NH4]+ 245.16483 169.5
[M+K]+ 266.09417 154.4
[M+H-H2O]+ 210.12827 144.6
[M+HCOO]- 272.12921 175.7
[M+CH3COO]- 286.14486 193.6
[M+Na-2H]- 248.10568 157.8
[M]+ 227.13046 151.2
[M]- 227.13156 151.2
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