CID 86811551

Tert-butyl 3-({[(4-methyl-1,3-thiazol-5-yl)methyl]amino}methyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H25N3O2S
SMILES
CC1=C(SC=N1)CNCC2CCN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H25N3O2S/c1-11-13(21-10-17-11)8-16-7-12-5-6-18(9-12)14(19)20-15(2,3)4/h10,12,16H,5-9H2,1-4H3
InChIKey
LRXVXLVBHURDTH-UHFFFAOYSA-N
Compound name
tert-butyl 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.16675 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17403 176.1
[M+Na]+ 334.15597 182.7
[M+NH4]+ 329.20057 182.2
[M+K]+ 350.12991 180.1
[M-H]- 310.15947 176.7
[M+Na-2H]- 332.14142 178.3
[M]+ 311.16620 177.3
[M]- 311.16730 177.3
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.