CID 137965813

2230799-00-3

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1C2(CC1(OC2)CN)C(=O)O
InChI
InChI=1S/C7H11NO3/c8-3-7-1-6(2-7,4-11-7)5(9)10/h1-4,8H2,(H,9,10)
InChIKey
OUDYQRJQTDMYSI-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-2-oxabicyclo[2.1.1]hexane-4-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 139.3
[M+Na]+ 180.06312 145.0
[M-H]- 156.06662 139.6
[M+NH4]+ 175.10772 161.7
[M+K]+ 196.03706 147.1
[M+H-H2O]+ 140.07116 133.7
[M+HCOO]- 202.07210 155.6
[M+CH3COO]- 216.08775 179.5
[M+Na-2H]- 178.04857 147.9
[M]+ 157.07335 151.0
[M]- 157.07445 151.0
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.