CID 86812161

1803582-95-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
COC(=O)C1CN2CCCC2CO1
InChI
InChI=1S/C9H15NO3/c1-12-9(11)8-5-10-4-2-3-7(10)6-13-8/h7-8H,2-6H2,1H3
InChIKey
BTQWSGIBAROLHY-UHFFFAOYSA-N
Compound name
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 139.7
[M+Na]+ 208.09442 145.3
[M-H]- 184.09792 142.5
[M+NH4]+ 203.13902 159.5
[M+K]+ 224.06836 145.8
[M+H-H2O]+ 168.10246 133.7
[M+HCOO]- 230.10340 156.7
[M+CH3COO]- 244.11905 179.4
[M+Na-2H]- 206.07987 143.5
[M]+ 185.10465 137.8
[M]- 185.10575 137.8
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.