CID 21116976

58650-45-6

Structural Information

Molecular Formula
C9H16O2
SMILES
CCCCC[C@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C9H16O2/c1-2-3-4-5-7-6-8(7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/t7-,8+/m0/s1
InChIKey
ZWABCHPDBORTSF-JGVFFNPUSA-N
Compound name
(1R,2S)-2-pentylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

156.11504 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 134.2
[M+Na]+ 179.10426 142.8
[M-H]- 155.10776 137.6
[M+NH4]+ 174.14886 150.1
[M+K]+ 195.07820 140.2
[M+H-H2O]+ 139.11230 128.8
[M+HCOO]- 201.11324 155.7
[M+CH3COO]- 215.12889 180.5
[M+Na-2H]- 177.08971 138.2
[M]+ 156.11449 137.9
[M]- 156.11559 137.9
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

patents stripe