CID 14593208

Decahydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C1CCC2C(C1)CCCC2C(=O)O
InChI
InChI=1S/C11H18O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2,(H,12,13)
InChIKey
MLYJAHYIPOXSRR-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1949
Patents

182.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.13796 141.4
[M+Na]+ 205.11990 150.9
[M+NH4]+ 200.16450 150.5
[M+K]+ 221.09384 145.0
[M-H]- 181.12340 143.1
[M+Na-2H]- 203.10535 144.4
[M]+ 182.13013 142.9
[M]- 182.13123 142.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe