CID 3022864

Ns00063820

Structural Information

Molecular Formula
C15H21NO4
SMILES
CC1=C(C=CC(=C1CCOC(=O)C)N)CCOC(=O)C
InChI
InChI=1S/C15H21NO4/c1-10-13(6-8-19-11(2)17)4-5-15(16)14(10)7-9-20-12(3)18/h4-5H,6-9,16H2,1-3H3
InChIKey
NXXVCIXYVCPRHN-UHFFFAOYSA-N
Compound name
2-[3-(2-acetyloxyethyl)-4-amino-2-methylphenyl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.14706 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.154336 165.5
[M+Na]+ 302.136278 172.2
[M-H]- 278.139784 168.7
[M+NH4]+ 297.180883 181.5
[M+K]+ 318.110218 170.6
[M+H-H2O]+ 262.144320 158.6
[M+HCOO]- 324.145261 187.7
[M+CH3COO]- 338.160911 204.2
[M+Na-2H]- 300.121726 165.3
[M]+ 279.14651142 169.9
[M]- 279.14760858 169.9
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

No patent data available for this compound.