CID 3024540

Brn 4993302

Structural Information

Molecular Formula
C11H14N2S
SMILES
CN(C)C1=CC=C(C=C1)C2=NCCS2
InChI
InChI=1S/C11H14N2S/c1-13(2)10-5-3-9(4-6-10)11-12-7-8-14-11/h3-6H,7-8H2,1-2H3
InChIKey
XEUKWTMDLFTRPR-UHFFFAOYSA-N
Compound name
4-(4,5-dihydro-1,3-thiazol-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.08777 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 144.3
[M+Na]+ 229.07699 152.1
[M-H]- 205.08049 151.4
[M+NH4]+ 224.12159 164.8
[M+K]+ 245.05093 149.7
[M+H-H2O]+ 189.08503 136.9
[M+HCOO]- 251.08597 164.2
[M+CH3COO]- 265.10162 157.8
[M+Na-2H]- 227.06244 146.2
[M]+ 206.08722 145.6
[M]- 206.08832 145.6
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.