CID 57487274

[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC(C)CC1=NC=C(S1)CN
InChI
InChI=1S/C8H14N2S/c1-6(2)3-8-10-5-7(4-9)11-8/h5-6H,3-4,9H2,1-2H3
InChIKey
MAKQWEUMRFQSLF-UHFFFAOYSA-N
Compound name
[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

170.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 137.4
[M+Na]+ 193.07699 147.1
[M+NH4]+ 188.12159 146.1
[M+K]+ 209.05093 141.3
[M-H]- 169.08049 139.1
[M+Na-2H]- 191.06244 141.7
[M]+ 170.08722 139.5
[M]- 170.08832 139.5
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