CID 445504

Tosyl-d-proline

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)O
InChI
InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
InChIKey
CGPHGPCHVUSFFA-LLVKDONJSA-N
Compound name
(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

510
Patents

269.07217 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 159.1
[M+Na]+ 292.06139 166.6
[M-H]- 268.06489 163.6
[M+NH4]+ 287.10599 175.7
[M+K]+ 308.03533 163.5
[M+H-H2O]+ 252.06943 153.2
[M+HCOO]- 314.07037 173.1
[M+CH3COO]- 328.08602 189.8
[M+Na-2H]- 290.04684 159.1
[M]+ 269.07162 159.9
[M]- 269.07272 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe