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]+ 186.112476 139.7
[M+Na]+ 208.094418 145.3
[M-H]- 184.097924 142.5
[M+NH4]+ 203.139023 159.5
[M+K]+ 224.068358 145.8
[M+H-H2O]+ 168.102460 133.7
[M+HCOO]- 230.103401 156.7
[M+CH3COO]- 244.119051 179.4
[M+Na-2H]- 206.079866 143.5
[M]+ 185.10465142 137.8
[M]- 185.10574858 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.