CID 251080

2-(2-ethylanilino)ethanol

Structural Information

Molecular Formula
C10H15NO
SMILES
CCC1=CC=CC=C1NCCO
InChI
InChI=1S/C10H15NO/c1-2-9-5-3-4-6-10(9)11-7-8-12/h3-6,11-12H,2,7-8H2,1H3
InChIKey
WRDNDQAJVPZACU-UHFFFAOYSA-N
Compound name
2-(2-ethylanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

165.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 135.9
[M+Na]+ 188.10459 142.5
[M-H]- 164.10809 138.1
[M+NH4]+ 183.14919 155.8
[M+K]+ 204.07853 139.9
[M+H-H2O]+ 148.11263 130.1
[M+HCOO]- 210.11357 159.9
[M+CH3COO]- 224.12922 179.7
[M+Na-2H]- 186.09004 142.7
[M]+ 165.11482 135.3
[M]- 165.11592 135.3
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