CID 138040149

2247087-90-5

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(=O)C1CC(C1)(CN)OC
InChI
InChI=1S/C8H15NO3/c1-11-7(10)6-3-8(4-6,5-9)12-2/h6H,3-5,9H2,1-2H3
InChIKey
CKNMOTNQPVJKTD-UHFFFAOYSA-N
Compound name
methyl 3-(aminomethyl)-3-methoxycyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 141.2
[M+Na]+ 196.09442 145.2
[M+NH4]+ 191.13902 145.5
[M+K]+ 212.06836 141.4
[M-H]- 172.09792 138.6
[M+Na-2H]- 194.07987 142.9
[M]+ 173.10465 139.6
[M]- 173.10575 139.6
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.