CID 24262084

1017251-55-6

Structural Information

Molecular Formula
C9H14N2S
SMILES
CC1=CSC(=N1)CC2CCCN2
InChI
InChI=1S/C9H14N2S/c1-7-6-12-9(11-7)5-8-3-2-4-10-8/h6,8,10H,2-5H2,1H3
InChIKey
JXPACTCKTKKCAJ-UHFFFAOYSA-N
Compound name
4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08777 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.09505 140.2
[M+Na]+ 205.07699 148.4
[M-H]- 181.08049 143.4
[M+NH4]+ 200.12159 161.2
[M+K]+ 221.05093 145.4
[M+H-H2O]+ 165.08503 133.7
[M+HCOO]- 227.08597 156.1
[M+CH3COO]- 241.10162 152.9
[M+Na-2H]- 203.06244 139.0
[M]+ 182.08722 138.6
[M]- 182.08832 138.6
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.