CID 22676

6279-52-3

Structural Information

Molecular Formula
C11H15NO3
SMILES
CN(C)CC1=C(C=CC(=C1)C(=O)OC)O
InChI
InChI=1S/C11H15NO3/c1-12(2)7-9-6-8(11(14)15-3)4-5-10(9)13/h4-6,13H,7H2,1-3H3
InChIKey
NVJULERDNIHRBR-UHFFFAOYSA-N
Compound name
methyl 3-[(dimethylamino)methyl]-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

209.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.2
[M+Na]+ 232.09442 152.5
[M-H]- 208.09792 149.3
[M+NH4]+ 227.13902 164.1
[M+K]+ 248.06836 152.1
[M+H-H2O]+ 192.10246 139.0
[M+HCOO]- 254.10340 169.1
[M+CH3COO]- 268.11905 190.9
[M+Na-2H]- 230.07987 148.8
[M]+ 209.10465 148.2
[M]- 209.10575 148.2
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