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]+ 207.095046 144.3
[M+Na]+ 229.076988 152.1
[M-H]- 205.080494 151.4
[M+NH4]+ 224.121593 164.8
[M+K]+ 245.050928 149.7
[M+H-H2O]+ 189.085030 136.9
[M+HCOO]- 251.085971 164.2
[M+CH3COO]- 265.101621 157.8
[M+Na-2H]- 227.062436 146.2
[M]+ 206.08722142 145.6
[M]- 206.08831858 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.