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 177.4
[M+Na]+ 334.15597 183.2
[M-H]- 310.15947 181.7
[M+NH4]+ 329.20057 193.8
[M+K]+ 350.12991 180.9
[M+H-H2O]+ 294.16401 170.3
[M+HCOO]- 356.16495 191.7
[M+CH3COO]- 370.18060 204.4
[M+Na-2H]- 332.14142 174.3
[M]+ 311.16620 180.1
[M]- 311.16730 180.1
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.