CID 430733

5832-55-3

Structural Information

Molecular Formula
C8H15NO3
SMILES
C1CN2CCC1C(C2CO)(O)O
InChI
InChI=1S/C8H15NO3/c10-5-7-8(11,12)6-1-3-9(7)4-2-6/h6-7,10-12H,1-5H2
InChIKey
ZFEXCXNDPOKNKP-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-1-azabicyclo[2.2.2]octane-3,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

173.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.112476 139.0
[M+Na]+ 196.094418 144.4
[M-H]- 172.097924 130.9
[M+NH4]+ 191.139023 162.7
[M+K]+ 212.068358 141.8
[M+H-H2O]+ 156.102460 135.4
[M+HCOO]- 218.103401 146.1
[M+CH3COO]- 232.119051 148.6
[M+Na-2H]- 194.079866 150.1
[M]+ 173.10465142 138.4
[M]- 173.10574858 138.4
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