CID 190647

Acetyl af-64

Structural Information

Molecular Formula
C8H16ClNO2
SMILES
CCN(CCOC(=O)C)CCCl
InChI
InChI=1S/C8H16ClNO2/c1-3-10(5-4-9)6-7-12-8(2)11/h3-7H2,1-2H3
InChIKey
UNAXSEJHNLEOKE-UHFFFAOYSA-N
Compound name
2-[2-chloroethyl(ethyl)amino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

115
Patents

193.08696 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09424 142.9
[M+Na]+ 216.07618 149.5
[M-H]- 192.07968 144.3
[M+NH4]+ 211.12078 163.8
[M+K]+ 232.05012 148.6
[M+H-H2O]+ 176.08422 138.3
[M+HCOO]- 238.08516 162.8
[M+CH3COO]- 252.10081 188.6
[M+Na-2H]- 214.06163 146.7
[M]+ 193.08641 148.7
[M]- 193.08751 148.7
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.