CID 82412142

2172012-03-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CN2CCOCC2C1C(=O)O
InChI
InChI=1S/C8H13NO3/c10-8(11)6-1-2-9-3-4-12-5-7(6)9/h6-7H,1-5H2,(H,10,11)
InChIKey
KRIGRMPEZXRRPX-UHFFFAOYSA-N
Compound name
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.5
[M+Na]+ 194.07876 140.9
[M-H]- 170.08226 137.0
[M+NH4]+ 189.12336 155.0
[M+K]+ 210.05270 140.8
[M+H-H2O]+ 154.08680 129.8
[M+HCOO]- 216.08774 151.2
[M+CH3COO]- 230.10339 174.5
[M+Na-2H]- 192.06421 139.3
[M]+ 171.08899 131.4
[M]- 171.09009 131.4
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.