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 130.2
[M+Na]+ 180.06312 131.5
[M+NH4]+ 175.10772 137.3
[M+K]+ 196.03706 130.4
[M-H]- 156.06662 125.4
[M+Na-2H]- 178.04857 127.4
[M]+ 157.07335 127.7
[M]- 157.07445 127.7
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.