CID 22309149

2-amino-2-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}acetic acid

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C(C(=O)O)N
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-5-4-7(6-13)8(12)9(14)15/h7-8H,4-6,12H2,1-3H3,(H,14,15)
InChIKey
PLMLEARVVVKXDQ-UHFFFAOYSA-N
Compound name
2-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

244.1423 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 157.3
[M+Na]+ 267.13152 161.4
[M-H]- 243.13502 157.3
[M+NH4]+ 262.17612 173.8
[M+K]+ 283.10546 161.4
[M+H-H2O]+ 227.13956 151.6
[M+HCOO]- 289.14050 173.4
[M+CH3COO]- 303.15615 191.2
[M+Na-2H]- 265.11697 156.0
[M]+ 244.14175 154.7
[M]- 244.14285 154.7
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