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]+ 197.153606 150.4
[M+Na]+ 219.135548 157.4
[M-H]- 195.139054 156.4
[M+NH4]+ 214.180153 158.4
[M+K]+ 235.109488 154.5
[M+H-H2O]+ 179.143590 144.8
[M+HCOO]- 241.144531 168.4
[M+CH3COO]- 255.160181 197.6
[M+Na-2H]- 217.120996 151.1
[M]+ 196.14578142 155.4
[M]- 196.14687858 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.