CID 154814485

2551117-11-2

Structural Information

Molecular Formula
C12H20O2
SMILES
CCCCCC1CC1C2CC2C(=O)O
InChI
InChI=1S/C12H20O2/c1-2-3-4-5-8-6-9(8)10-7-11(10)12(13)14/h8-11H,2-7H2,1H3,(H,13,14)
InChIKey
FQXLLTSPSVGNAQ-UHFFFAOYSA-N
Compound name
2-(2-pentylcyclopropyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.15361 150.4
[M+Na]+ 219.13555 157.4
[M-H]- 195.13905 156.4
[M+NH4]+ 214.18015 158.4
[M+K]+ 235.10949 154.5
[M+H-H2O]+ 179.14359 144.8
[M+HCOO]- 241.14453 168.4
[M+CH3COO]- 255.16018 197.6
[M+Na-2H]- 217.12100 151.1
[M]+ 196.14578 155.4
[M]- 196.14688 155.4
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.