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
trans-(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]+ 157.122316 134.2
[M+Na]+ 179.104258 142.8
[M-H]- 155.107764 137.6
[M+NH4]+ 174.148863 150.1
[M+K]+ 195.078198 140.2
[M+H-H2O]+ 139.112300 128.8
[M+HCOO]- 201.113241 155.7
[M+CH3COO]- 215.128891 180.5
[M+Na-2H]- 177.089706 138.2
[M]+ 156.11449142 137.9
[M]- 156.11558858 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