CID 3015693

34604-56-3

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CCNCC(=O)NC1=C(C=CC(=C1C)O)C
InChI
InChI=1S/C12H18N2O2/c1-4-13-7-11(16)14-12-8(2)5-6-10(15)9(12)3/h5-6,13,15H,4,7H2,1-3H3,(H,14,16)
InChIKey
YITCMQBVWIHTTA-UHFFFAOYSA-N
Compound name
2-(ethylamino)-N-(3-hydroxy-2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

10
Patents

222.13683 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 151.3
[M+Na]+ 245.126048 158.1
[M-H]- 221.129554 154.0
[M+NH4]+ 240.170653 169.0
[M+K]+ 261.099988 155.5
[M+H-H2O]+ 205.134090 145.0
[M+HCOO]- 267.135031 175.0
[M+CH3COO]- 281.150681 194.7
[M+Na-2H]- 243.111496 154.5
[M]+ 222.13628142 151.5
[M]- 222.13737858 151.5
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