CID 154844926

2445784-09-6

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)NC1CC(C1)C(C(=O)OC)N
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-5-7(6-8)9(13)10(15)17-4/h7-9H,5-6,13H2,1-4H3,(H,14,16)
InChIKey
GPKOTOUVCZVKQV-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 166.8
[M+Na]+ 281.14718 168.2
[M-H]- 257.15068 169.0
[M+NH4]+ 276.19178 175.9
[M+K]+ 297.12112 172.4
[M+H-H2O]+ 241.15522 154.4
[M+HCOO]- 303.15616 184.5
[M+CH3COO]- 317.17181 203.2
[M+Na-2H]- 279.13263 165.5
[M]+ 258.15741 174.8
[M]- 258.15851 174.8
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.