CID 71755509

Methyl 2-(1-aminocyclobutyl)acetate

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC(=O)CC1(CCC1)N
InChI
InChI=1S/C7H13NO2/c1-10-6(9)5-7(8)3-2-4-7/h2-5,8H2,1H3
InChIKey
KCFKMNXXKRIIQQ-UHFFFAOYSA-N
Compound name
methyl 2-(1-aminocyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

143.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 133.7
[M+Na]+ 166.08386 138.0
[M+NH4]+ 161.12846 138.7
[M+K]+ 182.05780 133.8
[M-H]- 142.08736 131.6
[M+Na-2H]- 164.06931 136.4
[M]+ 143.09409 132.4
[M]- 143.09519 132.4
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