CID 3039123

4-(2-(dimethylamino)ethyl)-1,2-benzenediol diacetate hydrochloride

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(=O)OC1=C(C=C(C=C1)CCN(C)C)OC(=O)C
InChI
InChI=1S/C14H19NO4/c1-10(16)18-13-6-5-12(7-8-15(3)4)9-14(13)19-11(2)17/h5-6,9H,7-8H2,1-4H3
InChIKey
TVXVQCWDWWDOAX-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-[2-(dimethylamino)ethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.1314 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.2
[M+Na]+ 288.12062 166.6
[M-H]- 264.12412 165.3
[M+NH4]+ 283.16522 177.4
[M+K]+ 304.09456 166.9
[M+H-H2O]+ 248.12866 153.2
[M+HCOO]- 310.12960 184.0
[M+CH3COO]- 324.14525 203.9
[M+Na-2H]- 286.10607 161.6
[M]+ 265.13085 166.2
[M]- 265.13195 166.2
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

patents stripe