CID 139022482

2344681-03-2

Structural Information

Molecular Formula
C9H18N2O3
SMILES
C1COCC2N1C(COC2)(CN)CO
InChI
InChI=1S/C9H18N2O3/c10-5-9(6-12)7-14-4-8-3-13-2-1-11(8)9/h8,12H,1-7,10H2
InChIKey
DRFKSZWIPHAVBS-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-1,3,6,7,9,9a-hexahydro-[1,4]oxazino[3,4-c][1,4]oxazin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13174 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.13902 145.1
[M+Na]+ 225.12096 149.5
[M-H]- 201.12446 146.4
[M+NH4]+ 220.16556 161.7
[M+K]+ 241.09490 150.1
[M+H-H2O]+ 185.12900 138.6
[M+HCOO]- 247.12994 158.5
[M+CH3COO]- 261.14559 182.2
[M+Na-2H]- 223.10641 152.4
[M]+ 202.13119 140.0
[M]- 202.13229 140.0
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.