CID 137323821

2-[3]-ladderane ethanoic acid

Structural Information

Molecular Formula
C14H20O2
SMILES
C1CC2C(CC1CC(=O)O)C3C2C4C3CC4
InChI
InChI=1S/C14H20O2/c15-12(16)6-7-1-2-10-11(5-7)14-9-4-3-8(9)13(10)14/h7-11,13-14H,1-6H2,(H,15,16)
InChIKey
MZLSFWGEQLSKRL-UHFFFAOYSA-N
Compound name
2-(10-tetracyclo[6.4.0.02,7.03,6]dodecanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 137.7
[M+Na]+ 243.13555 139.7
[M-H]- 219.13905 141.4
[M+NH4]+ 238.18015 139.1
[M+K]+ 259.10949 145.1
[M+H-H2O]+ 203.14359 121.9
[M+HCOO]- 265.14453 147.0
[M+CH3COO]- 279.16018 215.7
[M+Na-2H]- 241.12100 140.1
[M]+ 220.14578 157.0
[M]- 220.14688 157.0
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.