CID 131076780

151252-19-6

Structural Information

Molecular Formula
C9H17NO4
SMILES
CC1(O[C@@H]2[C@H](CN[C@@H]([C@@H]2O1)CO)O)C
InChI
InChI=1S/C9H17NO4/c1-9(2)13-7-5(4-11)10-3-6(12)8(7)14-9/h5-8,10-12H,3-4H2,1-2H3/t5-,6+,7+,8-/m1/s1
InChIKey
KVGDVIZWSSLLDW-VGRMVHKJSA-N
Compound name
(3aS,4R,7S,7aR)-4-(hydroxymethyl)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-[1,3]dioxolo[4,5-c]pyridin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.11575 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12303 144.3
[M+Na]+ 226.10497 151.3
[M-H]- 202.10847 144.4
[M+NH4]+ 221.14957 162.5
[M+K]+ 242.07891 150.8
[M+H-H2O]+ 186.11301 140.1
[M+HCOO]- 248.11395 156.6
[M+CH3COO]- 262.12960 177.1
[M+Na-2H]- 224.09042 148.8
[M]+ 203.11520 141.6
[M]- 203.11630 141.6
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.