CID 155819855

2470438-62-9

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)C1C2(C13CC(C3)C(=O)O)CCC2
InChI
InChI=1S/C13H18O4/c1-2-17-11(16)9-12(4-3-5-12)13(9)6-8(7-13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)
InChIKey
WDDINTLYUULEIE-UHFFFAOYSA-N
Compound name
9-ethoxycarbonyldispiro[3.0.35.14]nonane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 150.9
[M+Na]+ 261.10973 155.9
[M-H]- 237.11323 157.6
[M+NH4]+ 256.15433 155.0
[M+K]+ 277.08367 159.8
[M+H-H2O]+ 221.11777 139.7
[M+HCOO]- 283.11871 165.1
[M+CH3COO]- 297.13436 202.8
[M+Na-2H]- 259.09518 153.7
[M]+ 238.11996 169.1
[M]- 238.12106 169.1
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.