CID 41036

54237-74-0

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CC1=C(C(=CC=C1)C)N(C2COCCO2)C(=O)CCl
InChI
InChI=1S/C14H18ClNO3/c1-10-4-3-5-11(2)14(10)16(12(17)8-15)13-9-18-6-7-19-13/h3-5,13H,6-9H2,1-2H3
InChIKey
YIBYBPKHKCGEBO-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dimethylphenyl)-N-(1,4-dioxan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 166.3
[M+Na]+ 306.08675 172.0
[M-H]- 282.09025 175.0
[M+NH4]+ 301.13135 180.5
[M+K]+ 322.06069 171.6
[M+H-H2O]+ 266.09479 159.3
[M+HCOO]- 328.09573 181.3
[M+CH3COO]- 342.11138 203.2
[M+Na-2H]- 304.07220 169.4
[M]+ 283.09698 168.8
[M]- 283.09808 168.8
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.