CID 21351039

4ochcaa2ch

Structural Information

Molecular Formula
C19H34O3
SMILES
CCCCOC1CCC(CC1)C(=O)OC2CCC(CC2)CC
InChI
InChI=1S/C19H34O3/c1-3-5-14-21-17-12-8-16(9-13-17)19(20)22-18-10-6-15(4-2)7-11-18/h15-18H,3-14H2,1-2H3
InChIKey
VCOXSPFTQWTTSR-UHFFFAOYSA-N
Compound name
(4-ethylcyclohexyl) 4-butoxycyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

310.2508 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.25808 180.2
[M+Na]+ 333.24002 180.1
[M-H]- 309.24352 184.0
[M+NH4]+ 328.28462 194.3
[M+K]+ 349.21396 177.9
[M+H-H2O]+ 293.24806 172.1
[M+HCOO]- 355.24900 193.9
[M+CH3COO]- 369.26465 207.0
[M+Na-2H]- 331.22547 176.9
[M]+ 310.25025 176.0
[M]- 310.25135 176.0
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