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 136.9
[M+Na]+ 193.07699 144.9
[M-H]- 169.08049 139.1
[M+NH4]+ 188.12159 158.2
[M+K]+ 209.05093 142.6
[M+H-H2O]+ 153.08503 130.7
[M+HCOO]- 215.08597 155.2
[M+CH3COO]- 229.10162 181.0
[M+Na-2H]- 191.06244 137.2
[M]+ 170.08722 137.9
[M]- 170.08832 137.9
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