CID 165890516

4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylicacidhydrochloride

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CC2(CCC1(O2)CN)C(=O)O
InChI
InChI=1S/C8H13NO3/c9-5-7-1-3-8(12-7,4-2-7)6(10)11/h1-5,9H2,(H,10,11)
InChIKey
IEQZYGMXWCSMJJ-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.7
[M+Na]+ 194.07876 142.6
[M-H]- 170.08226 137.3
[M+NH4]+ 189.12336 162.1
[M+K]+ 210.05270 141.9
[M+H-H2O]+ 154.08680 133.0
[M+HCOO]- 216.08774 154.9
[M+CH3COO]- 230.10339 175.6
[M+Na-2H]- 192.06421 142.1
[M]+ 171.08899 133.8
[M]- 171.09009 133.8
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.