CID 408991

4-amino-2-[(diethylamino)methyl]phenol

Structural Information

Molecular Formula
C11H18N2O
SMILES
CCN(CC)CC1=C(C=CC(=C1)N)O
InChI
InChI=1S/C11H18N2O/c1-3-13(4-2)8-9-7-10(12)5-6-11(9)14/h5-7,14H,3-4,8,12H2,1-2H3
InChIKey
KRQUHMFZMVSALZ-UHFFFAOYSA-N
Compound name
4-amino-2-(diethylaminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

2992
Patents

194.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.149176 145.0
[M+Na]+ 217.131118 151.4
[M-H]- 193.134624 148.4
[M+NH4]+ 212.175723 164.1
[M+K]+ 233.105058 149.6
[M+H-H2O]+ 177.139160 138.6
[M+HCOO]- 239.140101 169.5
[M+CH3COO]- 253.155751 191.7
[M+Na-2H]- 215.116566 148.9
[M]+ 194.14135142 144.7
[M]- 194.14244858 144.7
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