CID 62389446

1-(methylamino)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
CNC1(CCC1)C(=O)O
InChI
InChI=1S/C6H11NO2/c1-7-6(5(8)9)3-2-4-6/h7H,2-4H2,1H3,(H,8,9)
InChIKey
ZGIIYBQFEOZGIX-UHFFFAOYSA-N
Compound name
1-(methylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

129.07898 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 128.1
[M+Na]+ 152.068198 132.9
[M-H]- 128.071704 130.4
[M+NH4]+ 147.112803 144.2
[M+K]+ 168.042138 135.5
[M+H-H2O]+ 112.076240 118.9
[M+HCOO]- 174.077181 149.1
[M+CH3COO]- 188.092831 174.4
[M+Na-2H]- 150.053646 134.1
[M]+ 129.07843142 134.1
[M]- 129.07952858 134.1
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