CID 64489

73599-94-7

Structural Information

Molecular Formula
C14H21ClO2
SMILES
CCOCC(=O)C12CC3CC(C1)CC(C3)(C2)Cl
InChI
InChI=1S/C14H21ClO2/c1-2-17-8-12(16)13-4-10-3-11(5-13)7-14(15,6-10)9-13/h10-11H,2-9H2,1H3
InChIKey
YQCVJOAKPNRPBE-UHFFFAOYSA-N
Compound name
1-(3-chloro-1-adamantyl)-2-ethoxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.12302 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13030 162.6
[M+Na]+ 279.11224 166.1
[M-H]- 255.11574 157.9
[M+NH4]+ 274.15684 189.0
[M+K]+ 295.08618 161.5
[M+H-H2O]+ 239.12028 157.3
[M+HCOO]- 301.12122 164.5
[M+CH3COO]- 315.13687 170.8
[M+Na-2H]- 277.09769 172.0
[M]+ 256.12247 166.3
[M]- 256.12357 166.3
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.