CID 146115814

2241139-71-7

Structural Information

Molecular Formula
C8H13NO3
SMILES
CN1C[C@@H]2COC[C@@]2(C1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-9-2-6-3-12-5-8(6,4-9)7(10)11/h6H,2-5H2,1H3,(H,10,11)/t6-,8-/m1/s1
InChIKey
OEFWVODRJFMYAD-HTRCEHHLSA-N
Compound name
(3aR,6aR)-5-methyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.0
[M+Na]+ 194.07876 143.3
[M-H]- 170.08226 138.2
[M+NH4]+ 189.12336 159.4
[M+K]+ 210.05270 143.3
[M+H-H2O]+ 154.08680 131.9
[M+HCOO]- 216.08774 153.9
[M+CH3COO]- 230.10339 174.1
[M+Na-2H]- 192.06421 139.7
[M]+ 171.08899 134.4
[M]- 171.09009 134.4
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.