CID 137944689

Rac-(1r,3s,4s,6r)-3-hydroxytricyclo[2.2.1.0,2,6]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
C1[C@H]2C[C@]3([C@H]1C3[C@H]2O)C(=O)O
InChI
InChI=1S/C8H10O3/c9-6-3-1-4-5(6)8(4,2-3)7(10)11/h3-6,9H,1-2H2,(H,10,11)/t3-,4+,5?,6-,8+/m0/s1
InChIKey
GGZCHQOBLDQGOT-KOQAFRFMSA-N
Compound name
(1R,3S,4S,6R)-3-hydroxytricyclo[2.2.1.02,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.06299 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 128.5
[M+Na]+ 177.05221 138.8
[M-H]- 153.05571 129.0
[M+NH4]+ 172.09681 154.3
[M+K]+ 193.02615 134.2
[M+H-H2O]+ 137.06025 127.7
[M+HCOO]- 199.06119 143.3
[M+CH3COO]- 213.07684 141.8
[M+Na-2H]- 175.03766 134.8
[M]+ 154.06244 135.8
[M]- 154.06354 135.8
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.