CID 10749687

154212-60-9

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC(C)C1=NC(=CS1)CNC
InChI
InChI=1S/C8H14N2S/c1-6(2)8-10-7(4-9-3)5-11-8/h5-6,9H,4H2,1-3H3
InChIKey
HWSFABGWAXURNG-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

243
Patents

170.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 136.6
[M+Na]+ 193.076988 144.6
[M-H]- 169.080494 139.4
[M+NH4]+ 188.121593 158.2
[M+K]+ 209.050928 142.6
[M+H-H2O]+ 153.085030 130.3
[M+HCOO]- 215.085971 155.5
[M+CH3COO]- 229.101621 181.7
[M+Na-2H]- 191.062436 137.9
[M]+ 170.08722142 138.6
[M]- 170.08831858 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

literature stripe

Patent stripe

patents stripe