CID 386286

Nsc678043

Structural Information

Molecular Formula
C19H21ClO2
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C19H21ClO2/c20-15-3-1-14(2-4-15)16-17(22-16)18(21)19-8-11-5-12(9-19)7-13(6-11)10-19/h1-4,11-13,16-17H,5-10H2
InChIKey
OMIQGPLZYHXYBR-UHFFFAOYSA-N
Compound name
1-adamantyl-[3-(4-chlorophenyl)oxiran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12302 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13030 167.2
[M+Na]+ 339.11224 172.1
[M-H]- 315.11574 169.3
[M+NH4]+ 334.15684 182.8
[M+K]+ 355.08618 167.9
[M+H-H2O]+ 299.12028 158.9
[M+HCOO]- 361.12122 167.5
[M+CH3COO]- 375.13687 174.9
[M+Na-2H]- 337.09769 174.8
[M]+ 316.12247 171.9
[M]- 316.12357 171.9
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.