CID 59558350

1-tert-butyl 3-methyl 3-(aminomethyl)azetidine-1,3-dicarboxylate hydrochloride

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-6-11(5-12,7-13)8(14)16-4/h5-7,12H2,1-4H3
InChIKey
HNFOHFRPRUJBQA-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 3-(aminomethyl)azetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.1423 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 160.7
[M+Na]+ 267.131518 164.9
[M-H]- 243.135024 162.2
[M+NH4]+ 262.176123 171.8
[M+K]+ 283.105458 168.6
[M+H-H2O]+ 227.139560 150.3
[M+HCOO]- 289.140501 177.7
[M+CH3COO]- 303.156151 196.5
[M+Na-2H]- 265.116966 162.7
[M]+ 244.14175142 170.9
[M]- 244.14284858 170.9
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