CID 2737945

2-thiazoline, 2-((p-methylbenzyl)amino)-

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC1=CC=C(C=C1)CNC2=NCCS2
InChI
InChI=1S/C11H14N2S/c1-9-2-4-10(5-3-9)8-13-11-12-6-7-14-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKey
SENJFYMMZYUKHS-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1
Patents

206.08777 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.095046 143.8
[M+Na]+ 229.076988 151.7
[M-H]- 205.080494 149.5
[M+NH4]+ 224.121593 163.8
[M+K]+ 245.050928 147.9
[M+H-H2O]+ 189.085030 136.8
[M+HCOO]- 251.085971 163.4
[M+CH3COO]- 265.101621 156.8
[M+Na-2H]- 227.062436 146.5
[M]+ 206.08722142 143.8
[M]- 206.08831858 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe