CID 39345408

Diexo-3-amino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)N
InChI
InChI=1S/C7H11NO3/c8-6-4-2-1-3(11-4)5(6)7(9)10/h3-6H,1-2,8H2,(H,9,10)/t3-,4+,5-,6+/m1/s1
InChIKey
IBJRDBSWQMNJKY-MOJAZDJTSA-N
Compound name
(1R,2S,3R,4S)-3-amino-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

157.0739 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 131.6
[M+Na]+ 180.063118 138.7
[M-H]- 156.066624 133.5
[M+NH4]+ 175.107723 155.2
[M+K]+ 196.037058 138.3
[M+H-H2O]+ 140.071160 128.2
[M+HCOO]- 202.072101 151.2
[M+CH3COO]- 216.087751 175.6
[M+Na-2H]- 178.048566 134.8
[M]+ 157.07335142 129.4
[M]- 157.07444858 129.4
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

patents stripe