CID 122155827

4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H11NO2
SMILES
CC12CC(C1)(NC2)C(=O)O
InChI
InChI=1S/C7H11NO2/c1-6-2-7(3-6,5(9)10)8-4-6/h8H,2-4H2,1H3,(H,9,10)
InChIKey
PBBIAPCMFONELJ-UHFFFAOYSA-N
Compound name
4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

141.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 141.0
[M+Na]+ 164.06820 147.6
[M-H]- 140.07170 138.8
[M+NH4]+ 159.11280 164.1
[M+K]+ 180.04214 147.7
[M+H-H2O]+ 124.07624 135.0
[M+HCOO]- 186.07718 155.2
[M+CH3COO]- 200.09283 173.6
[M+Na-2H]- 162.05365 148.2
[M]+ 141.07843 151.2
[M]- 141.07953 151.2
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