CID 543595

2-(2-hexylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC1CC1CC(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
DSMAUFFXECFFMC-UHFFFAOYSA-N
Compound name
2-(2-hexylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

184.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 142.7
[M+Na]+ 207.13555 150.5
[M-H]- 183.13905 145.7
[M+NH4]+ 202.18015 157.5
[M+K]+ 223.10949 147.4
[M+H-H2O]+ 167.14359 136.9
[M+HCOO]- 229.14453 163.6
[M+CH3COO]- 243.16018 186.2
[M+Na-2H]- 205.12100 145.7
[M]+ 184.14578 147.2
[M]- 184.14688 147.2
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.