CID 105532702

2307757-01-1

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CNC[C@H]1C(=O)OC
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-8-5-13-7-9(8)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)/t8-,9+/m0/s1
InChIKey
WWJZPYMFPNHZBD-DTWKUNHWSA-N
Compound name
methyl (3S,4S)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 162.0
[M+Na]+ 281.147178 166.0
[M-H]- 257.150684 162.3
[M+NH4]+ 276.191783 178.4
[M+K]+ 297.121118 165.5
[M+H-H2O]+ 241.155220 155.9
[M+HCOO]- 303.156161 179.3
[M+CH3COO]- 317.171811 193.2
[M+Na-2H]- 279.132626 162.4
[M]+ 258.15741142 161.3
[M]- 258.15850858 161.3
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.