CID 243783

Cyclohexyl butyrate

Structural Information

Molecular Formula
C10H18O2
SMILES
CCCC(=O)OC1CCCCC1
InChI
InChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey
VZHUBBUZNIULNM-UHFFFAOYSA-N
Compound name
cyclohexyl butanoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2397
Patents

170.13068 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.13796 139.9
[M+Na]+ 193.11990 143.8
[M-H]- 169.12340 142.3
[M+NH4]+ 188.16450 160.0
[M+K]+ 209.09384 143.3
[M+H-H2O]+ 153.12794 134.1
[M+HCOO]- 215.12888 159.4
[M+CH3COO]- 229.14453 178.8
[M+Na-2H]- 191.10535 143.3
[M]+ 170.13013 137.3
[M]- 170.13123 137.3
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.