CID 46784224

920480-06-4

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC(C)CNCC1=NC=CS1
InChI
InChI=1S/C8H14N2S/c1-7(2)5-9-6-8-10-3-4-11-8/h3-4,7,9H,5-6H2,1-2H3
InChIKey
BHSRMJOAVCEUDM-UHFFFAOYSA-N
Compound name
2-methyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.08777 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 136.9
[M+Na]+ 193.076988 144.0
[M-H]- 169.080494 139.3
[M+NH4]+ 188.121593 158.1
[M+K]+ 209.050928 142.1
[M+H-H2O]+ 153.085030 130.3
[M+HCOO]- 215.085971 155.9
[M+CH3COO]- 229.101621 180.6
[M+Na-2H]- 191.062436 138.9
[M]+ 170.08722142 138.5
[M]- 170.08831858 138.5
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