CID 52644123

(4s)-4-[(tert-butoxycarbonyl)amino]-1-methyl-l-proline hydrate

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](N(C1)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-,8-/m0/s1
InChIKey
AZGABNOEFBPTEM-YUMQZZPRSA-N
Compound name
(2S,4S)-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

244.1423 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.6
[M+Na]+ 267.13152 161.8
[M-H]- 243.13502 157.4
[M+NH4]+ 262.17612 173.7
[M+K]+ 283.10546 161.5
[M+H-H2O]+ 227.13956 151.0
[M+HCOO]- 289.14050 174.2
[M+CH3COO]- 303.15615 192.1
[M+Na-2H]- 265.11697 156.9
[M]+ 244.14175 156.0
[M]- 244.14285 156.0
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