CID 21308735

167298-48-8

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(O[C@@H]2CC(C[C@@H]2O1)N)C
InChI
InChI=1S/C8H15NO2/c1-8(2)10-6-3-5(9)4-7(6)11-8/h5-7H,3-4,9H2,1-2H3/t5?,6-,7+
InChIKey
FBYZKOMMNAQXBT-DGUCWDHESA-N
Compound name
(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.11028 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 132.2
[M+Na]+ 180.09950 140.1
[M-H]- 156.10300 137.5
[M+NH4]+ 175.14410 156.8
[M+K]+ 196.07344 140.9
[M+H-H2O]+ 140.10754 129.2
[M+HCOO]- 202.10848 152.8
[M+CH3COO]- 216.12413 177.4
[M+Na-2H]- 178.08495 137.5
[M]+ 157.10973 131.1
[M]- 157.11083 131.1
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