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

2033
Patents

182.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 141.0
[M+Na]+ 205.119898 144.2
[M-H]- 181.123404 142.6
[M+NH4]+ 200.164503 160.8
[M+K]+ 221.093838 142.1
[M+H-H2O]+ 165.127940 135.5
[M+HCOO]- 227.128881 155.5
[M+CH3COO]- 241.144531 179.2
[M+Na-2H]- 203.105346 143.9
[M]+ 182.13013142 133.2
[M]- 182.13122858 133.2
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