CID 10352168

(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-ol

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)O)N)C
InChI
InChI=1S/C8H15NO3/c1-8(2)11-6-4(9)3-5(10)7(6)12-8/h4-7,10H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKey
AXPYGRDXRLICKY-JRTVQGFMSA-N
Compound name
(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

173.1052 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 135.2
[M+Na]+ 196.094418 143.5
[M-H]- 172.097924 139.5
[M+NH4]+ 191.139023 158.7
[M+K]+ 212.068358 143.8
[M+H-H2O]+ 156.102460 132.6
[M+HCOO]- 218.103401 154.5
[M+CH3COO]- 232.119051 178.4
[M+Na-2H]- 194.079866 139.6
[M]+ 173.10465142 134.2
[M]- 173.10574858 134.2
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

patents stripe