CID 166372

72928-49-5

Structural Information

Molecular Formula
C13H20O4
SMILES
CC(C)C1(CCC(=CC1)CCOC=O)OC=O
InChI
InChI=1S/C13H20O4/c1-11(2)13(17-10-15)6-3-12(4-7-13)5-8-16-9-14/h3,9-11H,4-8H2,1-2H3
InChIKey
GWSRKPZGWXNWPF-UHFFFAOYSA-N
Compound name
2-(4-formyloxy-4-propan-2-ylcyclohexen-1-yl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

240.13615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.143426 154.1
[M+Na]+ 263.125368 159.8
[M-H]- 239.128874 157.0
[M+NH4]+ 258.169973 173.5
[M+K]+ 279.099308 159.0
[M+H-H2O]+ 223.133410 148.6
[M+HCOO]- 285.134351 174.8
[M+CH3COO]- 299.150001 192.0
[M+Na-2H]- 261.110816 157.8
[M]+ 240.13560142 157.2
[M]- 240.13669858 157.2
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.