CID 46634

(4-chloro-o-tolyloxy)acetic acid 2-dimethylaminoethyl ester hydrochloride

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)OCCN(C)C
InChI
InChI=1S/C13H18ClNO3/c1-10-8-11(14)4-5-12(10)18-9-13(16)17-7-6-15(2)3/h4-5,8H,6-7,9H2,1-3H3
InChIKey
ANCZMHSEKNTIQM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(4-chloro-2-methylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.09753 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.0
[M+Na]+ 294.08675 167.6
[M-H]- 270.09025 165.0
[M+NH4]+ 289.13135 178.0
[M+K]+ 310.06069 165.6
[M+H-H2O]+ 254.09479 154.0
[M+HCOO]- 316.09573 180.2
[M+CH3COO]- 330.11138 203.1
[M+Na-2H]- 292.07220 162.6
[M]+ 271.09698 167.7
[M]- 271.09808 167.7
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