CID 56535

93086-58-9

Structural Information

Molecular Formula
C12H17NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OCCNC
InChI
InChI=1S/C12H17NO3/c1-3-15-11-6-4-10(5-7-11)12(14)16-9-8-13-2/h4-7,13H,3,8-9H2,1-2H3
InChIKey
JLAYMCWIZZXNDJ-UHFFFAOYSA-N
Compound name
2-(methylamino)ethyl 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.2
[M+Na]+ 246.11007 156.3
[M-H]- 222.11357 153.6
[M+NH4]+ 241.15467 168.3
[M+K]+ 262.08401 155.1
[M+H-H2O]+ 206.11811 143.4
[M+HCOO]- 268.11905 174.7
[M+CH3COO]- 282.13470 191.8
[M+Na-2H]- 244.09552 155.2
[M]+ 223.12030 153.7
[M]- 223.12140 153.7
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

No patent data available for this compound.