CID 53441206

Methyl 2-amino-2-cyclobutylacetate hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
COC(=O)C(C1CCC1)N
InChI
InChI=1S/C7H13NO2/c1-10-7(9)6(8)5-3-2-4-5/h5-6H,2-4,8H2,1H3
InChIKey
WPMQPLHPHZACOB-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-cyclobutylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

143.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.9
[M+Na]+ 166.08386 136.5
[M-H]- 142.08736 135.5
[M+NH4]+ 161.12846 146.9
[M+K]+ 182.05780 140.0
[M+H-H2O]+ 126.09190 121.8
[M+HCOO]- 188.09284 153.4
[M+CH3COO]- 202.10849 179.9
[M+Na-2H]- 164.06931 135.4
[M]+ 143.09409 139.0
[M]- 143.09519 139.0
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