CID 82974180

Akos021293764

Structural Information

Molecular Formula
C15H17NO
SMILES
CCN(CC1=CC(=CC=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C15H17NO/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(17)11-13/h3-11,17H,2,12H2,1H3
InChIKey
HHCAELCMEZYHAE-UHFFFAOYSA-N
Compound name
3-[(N-ethylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.138286 151.8
[M+Na]+ 250.120228 157.8
[M-H]- 226.123734 158.4
[M+NH4]+ 245.164833 169.4
[M+K]+ 266.094168 154.6
[M+H-H2O]+ 210.128270 144.2
[M+HCOO]- 272.129211 176.2
[M+CH3COO]- 286.144861 193.9
[M+Na-2H]- 248.105676 157.8
[M]+ 227.13046142 151.7
[M]- 227.13155858 151.7
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.