CID 21697983

2172528-27-5

Structural Information

Molecular Formula
C6H9ClN2S
SMILES
CN(C)C1=NC=C(S1)CCl
InChI
InChI=1S/C6H9ClN2S/c1-9(2)6-8-4-5(3-7)10-6/h4H,3H2,1-2H3
InChIKey
VUZSBNYGHZKKIE-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-N,N-dimethyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.0175 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02478 134.1
[M+Na]+ 199.00672 144.0
[M-H]- 175.01022 138.5
[M+NH4]+ 194.05132 156.9
[M+K]+ 214.98066 141.6
[M+H-H2O]+ 159.01476 128.6
[M+HCOO]- 221.01570 150.5
[M+CH3COO]- 235.03135 182.2
[M+Na-2H]- 196.99217 136.3
[M]+ 176.01695 139.0
[M]- 176.01805 139.0
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

patents stripe