CID 22458645

(2r,4s)-methyl 4-((tert-butoxycarbonyl)amino)pyrrolidine-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)NC1CC(NC1)C(=O)OC
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-7-5-8(12-6-7)9(14)16-4/h7-8,12H,5-6H2,1-4H3,(H,13,15)
InChIKey
QOJVDTYOYUAFQA-UHFFFAOYSA-N
Compound name
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.1423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.149576 157.5
[M+Na]+ 267.131518 161.9
[M-H]- 243.135024 157.9
[M+NH4]+ 262.176123 174.4
[M+K]+ 283.105458 161.6
[M+H-H2O]+ 227.139560 151.5
[M+HCOO]- 289.140501 175.1
[M+CH3COO]- 303.156151 190.2
[M+Na-2H]- 265.116966 158.4
[M]+ 244.14175142 156.4
[M]- 244.14284858 156.4
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