CID 137963866

2225126-73-6

Structural Information

Molecular Formula
C10H18N2O2
SMILES
C1C[C@@H]2COC[C@]3(N2C1)CNCOC3
InChI
InChI=1S/C10H18N2O2/c1-2-9-4-13-6-10(12(9)3-1)5-11-8-14-7-10/h9,11H,1-8H2/t9-,10-/m1/s1
InChIKey
MKVKCQDDFRFXNZ-NXEZZACHSA-N
Compound name
(4R,8aR)-spiro[1,3,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-4,5'-1,3-oxazinane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 144.3
[M+Na]+ 221.12605 148.2
[M-H]- 197.12955 146.2
[M+NH4]+ 216.17065 161.8
[M+K]+ 237.09999 147.8
[M+H-H2O]+ 181.13409 136.7
[M+HCOO]- 243.13503 154.7
[M+CH3COO]- 257.15068 154.4
[M+Na-2H]- 219.11150 149.7
[M]+ 198.13628 135.7
[M]- 198.13738 135.7
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.