CID 2788445

2-(4-chloro-3-methylphenoxy)-n-(oxolan-2-ylmethyl)acetamide

Structural Information

Molecular Formula
C14H18ClNO3
SMILES
CC1=C(C=CC(=C1)OCC(=O)NCC2CCCO2)Cl
InChI
InChI=1S/C14H18ClNO3/c1-10-7-11(4-5-13(10)15)19-9-14(17)16-8-12-3-2-6-18-12/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKey
QALBBHUYKQCQRB-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

283.09753 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10481 165.8
[M+Na]+ 306.08675 172.0
[M-H]- 282.09025 172.7
[M+NH4]+ 301.13135 182.6
[M+K]+ 322.06069 169.1
[M+H-H2O]+ 266.09479 159.5
[M+HCOO]- 328.09573 183.4
[M+CH3COO]- 342.11138 199.0
[M+Na-2H]- 304.07220 167.5
[M]+ 283.09698 168.5
[M]- 283.09808 168.5
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.