CID 32158

23958-95-4

Structural Information

Molecular Formula
C12H17NO4
SMILES
CN(C)CCOC(=O)C1=C(C(=CC=C1)OC)O
InChI
InChI=1S/C12H17NO4/c1-13(2)7-8-17-12(15)9-5-4-6-10(16-3)11(9)14/h4-6,14H,7-8H2,1-3H3
InChIKey
JUVFBNWTFPPUPV-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-hydroxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.11575 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.123026 152.7
[M+Na]+ 262.104968 159.4
[M-H]- 238.108474 156.6
[M+NH4]+ 257.149573 170.3
[M+K]+ 278.078908 159.4
[M+H-H2O]+ 222.113010 146.1
[M+HCOO]- 284.113951 176.4
[M+CH3COO]- 298.129601 196.0
[M+Na-2H]- 260.090416 155.8
[M]+ 239.11520142 157.5
[M]- 239.11629858 157.5
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

No patent data available for this compound.