CID 170910664

5-amino-3-oxabicyclo[3.1.1]heptane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1C2(CC1(COC2)N)C(=O)O
InChI
InChI=1S/C7H11NO3/c8-7-1-6(2-7,5(9)10)3-11-4-7/h1-4,8H2,(H,9,10)
InChIKey
XXYQWQQIBAUDHC-UHFFFAOYSA-N
Compound name
5-amino-3-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

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 142.2
[M+Na]+ 180.063118 146.9
[M-H]- 156.066624 140.4
[M+NH4]+ 175.107723 161.7
[M+K]+ 196.037058 149.9
[M+H-H2O]+ 140.071160 134.4
[M+HCOO]- 202.072101 153.9
[M+CH3COO]- 216.087751 181.4
[M+Na-2H]- 178.048566 153.9
[M]+ 157.07335142 151.7
[M]- 157.07444858 151.7
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

No patent data available for this compound.