CID 155820192

Methyl (3rs,4ar)-3-(iodomethyl)-1-oxo-hexahydro-1h-pyrrolo[1,2-c][1,3]oxazine-4a-carboxylate

Structural Information

Molecular Formula
C10H14INO4
SMILES
COC(=O)[C@]12CCCN1C(=O)O[C@H](C2)CI
InChI
InChI=1S/C10H14INO4/c1-15-8(13)10-3-2-4-12(10)9(14)16-7(5-10)6-11/h7H,2-6H2,1H3/t7-,10-/m1/s1
InChIKey
WSSBMNKWCBTBOV-GMSGAONNSA-N
Compound name
methyl (3R,4aR)-3-(iodomethyl)-1-oxo-4,5,6,7-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazine-4a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.99677 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.00405 153.5
[M+Na]+ 361.98599 153.4
[M-H]- 337.98949 149.6
[M+NH4]+ 357.03059 168.5
[M+K]+ 377.95993 159.2
[M+H-H2O]+ 321.99403 144.7
[M+HCOO]- 383.99497 165.5
[M+CH3COO]- 398.01062 195.5
[M+Na-2H]- 359.97144 145.6
[M]+ 338.99622 151.0
[M]- 338.99732 151.0
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.