CID 135392852

Methyl 3-amino-1-methylcyclobutane-1-carboxylate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CC(C1)N)C(=O)OC
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10-2)3-5(8)4-7/h5H,3-4,8H2,1-2H3
InChIKey
IIANLAXTQJUXIQ-UHFFFAOYSA-N
Compound name
methyl 3-amino-1-methylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

143.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.9
[M+Na]+ 166.08386 137.6
[M-H]- 142.08736 135.3
[M+NH4]+ 161.12846 148.3
[M+K]+ 182.05780 140.7
[M+H-H2O]+ 126.09190 122.7
[M+HCOO]- 188.09284 153.4
[M+CH3COO]- 202.10849 179.7
[M+Na-2H]- 164.06931 136.2
[M]+ 143.09409 139.5
[M]- 143.09519 139.5
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