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]+ 158.081176 131.2
[M+Na]+ 180.063118 138.4
[M-H]- 156.066624 133.1
[M+NH4]+ 175.107723 156.5
[M+K]+ 196.037058 138.0
[M+H-H2O]+ 140.071160 128.3
[M+HCOO]- 202.072101 150.8
[M+CH3COO]- 216.087751 174.0
[M+Na-2H]- 178.048566 136.3
[M]+ 157.07335142 129.0
[M]- 157.07444858 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.