CID 132351070

2138361-04-1

Structural Information

Molecular Formula
C10H16O3
SMILES
C1CC[C@@H]2[C@@](CC1)(CCO2)C(=O)O
InChI
InChI=1S/C10H16O3/c11-9(12)10-5-3-1-2-4-8(10)13-7-6-10/h8H,1-7H2,(H,11,12)/t8-,10-/m1/s1
InChIKey
UEYMODLYIDCPHC-PSASIEDQSA-N
Compound name
(3aR,8aR)-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]furan-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 137.3
[M+Na]+ 207.09916 140.3
[M-H]- 183.10266 141.1
[M+NH4]+ 202.14376 157.7
[M+K]+ 223.07310 142.4
[M+H-H2O]+ 167.10720 133.3
[M+HCOO]- 229.10814 153.0
[M+CH3COO]- 243.12379 178.4
[M+Na-2H]- 205.08461 141.7
[M]+ 184.10939 130.2
[M]- 184.11049 130.2
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.