CID 36080

32188-23-1

Structural Information

Molecular Formula
C13H20NO2
SMILES
CC(=O)OCC[N+](C)(C)CC1=CC=CC=C1
InChI
InChI=1S/C13H20NO2/c1-12(15)16-10-9-14(2,3)11-13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3/q+1
InChIKey
VXLCSWZJLRTYDR-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-benzyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

222.1494 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15668 150.6
[M+Na]+ 245.13862 156.3
[M-H]- 221.14212 155.5
[M+NH4]+ 240.18322 169.3
[M+K]+ 261.11256 149.8
[M+H-H2O]+ 205.14666 147.1
[M+HCOO]- 267.14760 174.1
[M+CH3COO]- 281.16325 187.7
[M+Na-2H]- 243.12407 159.3
[M]+ 222.14885 152.4
[M]- 222.14995 152.4
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