CID 9942596

1215268-15-7

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C
InChI
InChI=1S/C10H19NO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5,11H2,1-2H3/t6-,7+,8+,9-/m1/s1
InChIKey
WNYYMPICYAOQAE-RYPBNFRJSA-N
Compound name
2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

217.13141 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 146.6
[M+Na]+ 240.12063 153.4
[M+NH4]+ 235.16523 155.0
[M+K]+ 256.09457 152.5
[M-H]- 216.12413 148.9
[M+Na-2H]- 238.10608 147.0
[M]+ 217.13086 147.9
[M]- 217.13196 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe