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]+ 158.08118 142.2
[M+Na]+ 180.06312 146.9
[M-H]- 156.06662 140.4
[M+NH4]+ 175.10772 161.7
[M+K]+ 196.03706 149.9
[M+H-H2O]+ 140.07116 134.4
[M+HCOO]- 202.07210 153.9
[M+CH3COO]- 216.08775 181.4
[M+Na-2H]- 178.04857 153.9
[M]+ 157.07335 151.7
[M]- 157.07445 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.