CID 89923714

1536398-61-4

Structural Information

Molecular Formula
C6H9NO3
SMILES
C1C2COC1(CN2)C(=O)O
InChI
InChI=1S/C6H9NO3/c8-5(9)6-1-4(2-10-6)7-3-6/h4,7H,1-3H2,(H,8,9)
InChIKey
OOVPAUJTGIEXES-UHFFFAOYSA-N
Compound name
2-oxa-5-azabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

143.05824 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.2
[M+Na]+ 166.04746 135.4
[M-H]- 142.05096 127.7
[M+NH4]+ 161.09206 152.3
[M+K]+ 182.02140 134.9
[M+H-H2O]+ 126.05550 124.6
[M+HCOO]- 188.05644 145.0
[M+CH3COO]- 202.07209 165.6
[M+Na-2H]- 164.03291 134.1
[M]+ 143.05769 125.7
[M]- 143.05879 125.7
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

patents stripe