CID 58658352

2-heptylcyclopropanecarboxylic acid, cis-

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC[C@@H]1C[C@@H]1C(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-9-8-10(9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10+/m1/s1
InChIKey
CEVYHFHDLQMAMS-ZJUUUORDSA-N
Compound name
(1S,2R)-2-heptylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

63
Patents

184.14633 Da
Monoisotopic Mass

3.9
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

patents stripe