CID 91437

Terreic acid

Structural Information

Molecular Formula
C7H6O4
SMILES
CC1=C(C(=O)[C@H]2[C@@H](C1=O)O2)O
InChI
InChI=1S/C7H6O4/c1-2-3(8)5(10)7-6(11-7)4(2)9/h6-8H,1H3/t6-,7+/m1/s1
InChIKey
ATFNSNUJZOYXFC-RQJHMYQMSA-N
Compound name
(1R,6S)-3-hydroxy-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

690
Patents

154.02661 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.03389 128.3
[M+Na]+ 177.01583 142.0
[M+NH4]+ 172.06043 136.8
[M+K]+ 192.98977 139.3
[M-H]- 153.01933 137.0
[M+Na-2H]- 175.00128 134.0
[M]+ 154.02606 133.7
[M]- 154.02716 133.7
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