CID 129949265

1158759-42-2

Structural Information

Molecular Formula
C16H28N2O6
SMILES
CC(C)(C)OC(=O)NCC1(CCN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C16H28N2O6/c1-14(2,3)23-12(21)17-9-16(11(19)20)7-8-18(10-16)13(22)24-15(4,5)6/h7-10H2,1-6H3,(H,17,21)(H,19,20)
InChIKey
IZQMAASZBXIICH-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20201 179.3
[M+Na]+ 367.18395 182.7
[M-H]- 343.18745 179.6
[M+NH4]+ 362.22855 194.1
[M+K]+ 383.15789 183.6
[M+H-H2O]+ 327.19199 175.1
[M+HCOO]- 389.19293 193.4
[M+CH3COO]- 403.20858 208.2
[M+Na-2H]- 365.16940 180.6
[M]+ 344.19418 181.5
[M]- 344.19528 181.5
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.