CID 66521753

2247088-07-7

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1([C@H](C[C@H]1N)C(=O)OC)C
InChI
InChI=1S/C8H15NO2/c1-8(2)5(4-6(8)9)7(10)11-3/h5-6H,4,9H2,1-3H3/t5-,6-/m1/s1
InChIKey
VUSQBNNLIDLIBW-PHDIDXHHSA-N
Compound name
methyl (1S,3R)-3-amino-2,2-dimethylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.0
[M+Na]+ 180.09950 142.3
[M-H]- 156.10300 139.6
[M+NH4]+ 175.14410 152.3
[M+K]+ 196.07344 145.1
[M+H-H2O]+ 140.10754 127.0
[M+HCOO]- 202.10848 157.2
[M+CH3COO]- 216.12413 183.8
[M+Na-2H]- 178.08495 139.2
[M]+ 157.10973 144.3
[M]- 157.11083 144.3
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

No patent data available for this compound.