CID 138514

5458-16-2

Structural Information

Molecular Formula
C8H16
SMILES
CCCC(C)C1CC1
InChI
InChI=1S/C8H16/c1-3-4-7(2)8-5-6-8/h7-8H,3-6H2,1-2H3
InChIKey
HDRPKFBKHPJRQK-UHFFFAOYSA-N
Compound name
pentan-2-ylcyclopropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

112
Patents

112.1252 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 124.4
[M+Na]+ 135.11442 136.8
[M+NH4]+ 130.15902 134.3
[M+K]+ 151.08836 132.0
[M-H]- 111.11792 133.0
[M+Na-2H]- 133.09987 132.7
[M]+ 112.12465 129.7
[M]- 112.12575 129.7
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

patents stripe