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

5545
Patents

168.11504 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.2
[M+Na]+ 191.104258 145.0
[M-H]- 167.107764 139.2
[M+NH4]+ 186.148863 152.8
[M+K]+ 207.078198 142.8
[M+H-H2O]+ 151.112300 131.6
[M+HCOO]- 213.113241 155.1
[M+CH3COO]- 227.128891 183.4
[M+Na-2H]- 189.089706 138.1
[M]+ 168.11449142 138.8
[M]- 168.11558858 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

literature stripe

Patent stripe

patents stripe