CID 39723

Toluin

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC1=CC=CC=C1N(CCOC)C(=O)CCl
InChI
InChI=1S/C12H16ClNO2/c1-10-5-3-4-6-11(10)14(7-8-16-2)12(15)9-13/h3-6H,7-9H2,1-2H3
InChIKey
SXAAVRUIADQETA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxyethyl)-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

164
Patents

241.08696 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.2
[M+Na]+ 264.07618 160.5
[M-H]- 240.07968 158.0
[M+NH4]+ 259.12078 172.2
[M+K]+ 280.05012 158.0
[M+H-H2O]+ 224.08422 147.4
[M+HCOO]- 286.08516 173.5
[M+CH3COO]- 300.10081 196.9
[M+Na-2H]- 262.06163 157.0
[M]+ 241.08641 158.7
[M]- 241.08751 158.7
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.