CID 10352168

155899-66-4

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

141
Patents

173.1052 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 135.2
[M+Na]+ 196.09442 143.5
[M-H]- 172.09792 139.5
[M+NH4]+ 191.13902 158.7
[M+K]+ 212.06836 143.8
[M+H-H2O]+ 156.10246 132.6
[M+HCOO]- 218.10340 154.5
[M+CH3COO]- 232.11905 178.4
[M+Na-2H]- 194.07987 139.6
[M]+ 173.10465 134.2
[M]- 173.10575 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