CID 16747

(+)-trans-chrysanthemic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC(=C[C@@H]1[C@H](C1(C)C)C(=O)O)C
InChI
InChI=1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8+/m1/s1
InChIKey
XLOPRKKSAJMMEW-SFYZADRCSA-N
Compound name
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

48
References

5540
Patents

168.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.2
[M+Na]+ 191.10426 145.0
[M-H]- 167.10776 139.2
[M+NH4]+ 186.14886 152.8
[M+K]+ 207.07820 142.8
[M+H-H2O]+ 151.11230 131.6
[M+HCOO]- 213.11324 155.1
[M+CH3COO]- 227.12889 183.4
[M+Na-2H]- 189.08971 138.1
[M]+ 168.11449 138.8
[M]- 168.11559 138.8
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.