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

36
Patents

129.07898 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 128.1
[M+Na]+ 152.06820 132.9
[M-H]- 128.07170 130.4
[M+NH4]+ 147.11280 144.2
[M+K]+ 168.04214 135.5
[M+H-H2O]+ 112.07624 118.9
[M+HCOO]- 174.07718 149.1
[M+CH3COO]- 188.09283 174.4
[M+Na-2H]- 150.05365 134.1
[M]+ 129.07843 134.1
[M]- 129.07953 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