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]+ 183.095046 140.2
[M+Na]+ 205.076988 148.4
[M-H]- 181.080494 143.4
[M+NH4]+ 200.121593 161.2
[M+K]+ 221.050928 145.4
[M+H-H2O]+ 165.085030 133.7
[M+HCOO]- 227.085971 156.1
[M+CH3COO]- 241.101621 152.9
[M+Na-2H]- 203.062436 139.0
[M]+ 182.08722142 138.6
[M]- 182.08831858 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.