CID 80315379

1526836-66-7

Structural Information

Molecular Formula
C9H14N2OS
SMILES
CC1=CSC(=N1)COC2CCNC2
InChI
InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)5-12-8-2-3-10-4-8/h6,8,10H,2-5H2,1H3
InChIKey
JKIBYUCZUVVZKR-UHFFFAOYSA-N
Compound name
4-methyl-2-(pyrrolidin-3-yloxymethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08997 143.4
[M+Na]+ 221.07191 151.4
[M-H]- 197.07541 146.6
[M+NH4]+ 216.11651 163.7
[M+K]+ 237.04585 148.9
[M+H-H2O]+ 181.07995 136.9
[M+HCOO]- 243.08089 159.5
[M+CH3COO]- 257.09654 155.9
[M+Na-2H]- 219.05736 142.4
[M]+ 198.08214 143.2
[M]- 198.08324 143.2
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.