CID 84076120

2228313-13-9

Structural Information

Molecular Formula
C7H11NO2
SMILES
CN1CC2CC1(C2)C(=O)O
InChI
InChI=1S/C7H11NO2/c1-8-4-5-2-7(8,3-5)6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKey
VJOJXLMBPFUFTR-UHFFFAOYSA-N
Compound name
2-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

141.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 137.0
[M+Na]+ 164.068198 143.7
[M-H]- 140.071704 136.1
[M+NH4]+ 159.112803 159.1
[M+K]+ 180.042138 145.1
[M+H-H2O]+ 124.076240 130.4
[M+HCOO]- 186.077181 152.7
[M+CH3COO]- 200.092831 177.3
[M+Na-2H]- 162.053646 143.3
[M]+ 141.07843142 148.9
[M]- 141.07952858 148.9
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

patents stripe