CID 155821781

2741429-53-6

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1[C@H]([C@H]2C[C@@]1(CO2)C(=O)O)N
InChI
InChI=1S/C7H11NO3/c8-4-1-7(6(9)10)2-5(4)11-3-7/h4-5H,1-3,8H2,(H,9,10)/t4-,5-,7+/m1/s1
InChIKey
GRXPBUORVABFNC-XAHCXIQSSA-N
Compound name
(1R,4S,6R)-6-amino-2-oxabicyclo[2.2.1]heptane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.0739 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 131.2
[M+Na]+ 180.06312 138.4
[M-H]- 156.06662 133.1
[M+NH4]+ 175.10772 156.5
[M+K]+ 196.03706 138.0
[M+H-H2O]+ 140.07116 128.3
[M+HCOO]- 202.07210 150.8
[M+CH3COO]- 216.08775 174.0
[M+Na-2H]- 178.04857 136.3
[M]+ 157.07335 129.0
[M]- 157.07445 129.0
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.