CID 155973583

2648956-73-2

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1C2CC1(OCC2N)C(=O)O
InChI
InChI=1S/C7H11NO3/c8-5-3-11-7(6(9)10)1-4(5)2-7/h4-5H,1-3,8H2,(H,9,10)
InChIKey
OSJXVCZDOUIGLI-UHFFFAOYSA-N
Compound name
4-amino-2-oxabicyclo[3.1.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 139.9
[M+Na]+ 180.06312 144.3
[M-H]- 156.06662 138.1
[M+NH4]+ 175.10772 157.7
[M+K]+ 196.03706 147.6
[M+H-H2O]+ 140.07116 131.7
[M+HCOO]- 202.07210 151.6
[M+CH3COO]- 216.08775 182.7
[M+Na-2H]- 178.04857 150.2
[M]+ 157.07335 149.3
[M]- 157.07445 149.3
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.