CID 106937

Decahydro-2-naphthyl isobutyrate

Structural Information

Molecular Formula
C14H24O2
SMILES
CC(C)C(=O)OC1CCC2CCCCC2C1
InChI
InChI=1S/C14H24O2/c1-10(2)14(15)16-13-8-7-11-5-3-4-6-12(11)9-13/h10-13H,3-9H2,1-2H3
InChIKey
KWWPABFNYJNITP-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

224.17763 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.18491 154.6
[M+Na]+ 247.16685 156.7
[M-H]- 223.17035 157.0
[M+NH4]+ 242.21145 173.4
[M+K]+ 263.14079 155.2
[M+H-H2O]+ 207.17489 148.4
[M+HCOO]- 269.17583 168.6
[M+CH3COO]- 283.19148 191.1
[M+Na-2H]- 245.15230 155.1
[M]+ 224.17708 148.9
[M]- 224.17818 148.9
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