CID 10845194

Menthiafolic acid, (s)-

Structural Information

Molecular Formula
C10H16O3
SMILES
C/C(=C\CC[C@@](C)(C=C)O)/C(=O)O
InChI
InChI=1S/C10H16O3/c1-4-10(3,13)7-5-6-8(2)9(11)12/h4,6,13H,1,5,7H2,2-3H3,(H,11,12)/b8-6+/t10-/m1/s1
InChIKey
SSKWMOQUUQAJGV-QEHWCHDUSA-N
Compound name
(2E,6S)-6-hydroxy-2,6-dimethylocta-2,7-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.9
[M+Na]+ 207.09916 148.5
[M-H]- 183.10266 140.1
[M+NH4]+ 202.14376 161.4
[M+K]+ 223.07310 146.4
[M+H-H2O]+ 167.10720 138.9
[M+HCOO]- 229.10814 160.2
[M+CH3COO]- 243.12379 178.5
[M+Na-2H]- 205.08461 145.2
[M]+ 184.10939 142.2
[M]- 184.11049 142.2
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

No patent data available for this compound.