CID 3050593

66827-45-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(=O)OC(CN(C)C)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO2/c1-10(14)15-12(9-13(2)3)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3
InChIKey
RWNILOMIPVLRIS-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-1-phenylethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 148.0
[M+Na]+ 230.11515 153.2
[M-H]- 206.11865 152.6
[M+NH4]+ 225.15975 167.0
[M+K]+ 246.08909 153.3
[M+H-H2O]+ 190.12319 141.2
[M+HCOO]- 252.12413 171.8
[M+CH3COO]- 266.13978 192.9
[M+Na-2H]- 228.10060 151.6
[M]+ 207.12538 150.3
[M]- 207.12648 150.3
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.