CID 94264

2-cyclohexyloxirane

Structural Information

Molecular Formula
C8H14O
SMILES
C1CCC(CC1)C2CO2
InChI
InChI=1S/C8H14O/c1-2-4-7(5-3-1)8-6-9-8/h7-8H,1-6H2
InChIKey
NPRYHWFMGPYJIY-UHFFFAOYSA-N
Compound name
2-cyclohexyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1421
Patents

126.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 125.7
[M+Na]+ 149.09368 132.5
[M-H]- 125.09718 133.3
[M+NH4]+ 144.13828 141.5
[M+K]+ 165.06762 132.8
[M+H-H2O]+ 109.10172 119.2
[M+HCOO]- 171.10266 146.0
[M+CH3COO]- 185.11831 173.8
[M+Na-2H]- 147.07913 133.1
[M]+ 126.10391 124.3
[M]- 126.10501 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe