CID 3016098

Dimethyl 4-dimethylaminophthalate

Structural Information

Molecular Formula
C12H15NO4
SMILES
CN(C)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H15NO4/c1-13(2)8-5-6-9(11(14)16-3)10(7-8)12(15)17-4/h5-7H,1-4H3
InChIKey
IQMSCTLQIWAFDD-UHFFFAOYSA-N
Compound name
dimethyl 4-(dimethylamino)benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

237.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 150.6
[M+Na]+ 260.08933 157.9
[M-H]- 236.09283 156.1
[M+NH4]+ 255.13393 169.0
[M+K]+ 276.06327 158.7
[M+H-H2O]+ 220.09737 144.0
[M+HCOO]- 282.09831 175.1
[M+CH3COO]- 296.11396 197.9
[M+Na-2H]- 258.07478 153.1
[M]+ 237.09956 155.9
[M]- 237.10066 155.9
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