CID 103668

Decahydro-2-naphthyl acrylate

Structural Information

Molecular Formula
C13H20O2
SMILES
C=CC(=O)OC1CCC2CCCCC2C1
InChI
InChI=1S/C13H20O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h2,10-12H,1,3-9H2
InChIKey
ZKPBJHSNKLZLCD-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

208.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 148.5
[M+Na]+ 231.135548 151.6
[M-H]- 207.139054 151.1
[M+NH4]+ 226.180153 167.9
[M+K]+ 247.109488 149.3
[M+H-H2O]+ 191.143590 142.3
[M+HCOO]- 253.144531 164.1
[M+CH3COO]- 267.160181 186.4
[M+Na-2H]- 229.120996 150.8
[M]+ 208.14578142 142.4
[M]- 208.14687858 142.4
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