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

10
Patents

141.07898 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 137.0
[M+Na]+ 164.06820 143.7
[M-H]- 140.07170 136.1
[M+NH4]+ 159.11280 159.1
[M+K]+ 180.04214 145.1
[M+H-H2O]+ 124.07624 130.4
[M+HCOO]- 186.07718 152.7
[M+CH3COO]- 200.09283 177.3
[M+Na-2H]- 162.05365 143.3
[M]+ 141.07843 148.9
[M]- 141.07953 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