CID 2474318

851722-03-7

Structural Information

Molecular Formula
C14H16ClNO3
SMILES
C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C14H16ClNO3/c15-9-13(17)16-10-4-5-11-12(8-10)19-14(18-11)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,16,17)
InChIKey
YOOKAYCLVJDOKG-UHFFFAOYSA-N
Compound name
2-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08188 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08916 162.6
[M+Na]+ 304.07110 169.1
[M-H]- 280.07460 169.6
[M+NH4]+ 299.11570 181.1
[M+K]+ 320.04504 166.8
[M+H-H2O]+ 264.07914 157.1
[M+HCOO]- 326.08008 176.0
[M+CH3COO]- 340.09573 174.1
[M+Na-2H]- 302.05655 168.2
[M]+ 281.08133 162.5
[M]- 281.08243 162.5
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.