CID 83395

2-(n-ethyl-p-toluidino)ethanol

Structural Information

Molecular Formula
C11H17NO
SMILES
CCN(CCO)C1=CC=C(C=C1)C
InChI
InChI=1S/C11H17NO/c1-3-12(8-9-13)11-6-4-10(2)5-7-11/h4-7,13H,3,8-9H2,1-2H3
InChIKey
WULPPMCTKHSRAO-UHFFFAOYSA-N
Compound name
2-(N-ethyl-4-methylanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

162
Patents

179.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.6
[M+Na]+ 202.120228 147.0
[M-H]- 178.123734 144.2
[M+NH4]+ 197.164833 160.7
[M+K]+ 218.094168 145.6
[M+H-H2O]+ 162.128270 134.5
[M+HCOO]- 224.129211 164.8
[M+CH3COO]- 238.144861 186.2
[M+Na-2H]- 200.105676 146.1
[M]+ 179.13046142 141.7
[M]- 179.13155858 141.7
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.