CID 72208249

(4s)-1-boc-4-(methylsulfonyl)-l-proline

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C11H19NO6S/c1-11(2,3)18-10(15)12-6-7(19(4,16)17)5-8(12)9(13)14/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
BCVKDKLIASJMTL-YUMQZZPRSA-N
Compound name
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-methylsulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.09332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 164.1
[M+Na]+ 316.08254 170.5
[M-H]- 292.08604 165.1
[M+NH4]+ 311.12714 179.9
[M+K]+ 332.05648 169.8
[M+H-H2O]+ 276.09058 159.7
[M+HCOO]- 338.09152 174.8
[M+CH3COO]- 352.10717 194.0
[M+Na-2H]- 314.06799 163.4
[M]+ 293.09277 167.7
[M]- 293.09387 167.7
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