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
trans-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]+ 158.117556 136.0
[M+Na]+ 180.099498 142.3
[M-H]- 156.103004 139.6
[M+NH4]+ 175.144103 152.3
[M+K]+ 196.073438 145.1
[M+H-H2O]+ 140.107540 127.0
[M+HCOO]- 202.108481 157.2
[M+CH3COO]- 216.124131 183.8
[M+Na-2H]- 178.084946 139.2
[M]+ 157.10973142 144.3
[M]- 157.11082858 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.