CID 24261656

1-(4,5-dimethylthiazol-2-yl)ethanamine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC1=C(SC(=N1)C(C)N)C
InChI
InChI=1S/C7H12N2S/c1-4(8)7-9-5(2)6(3)10-7/h4H,8H2,1-3H3
InChIKey
VZQYBPGNBCABSI-UHFFFAOYSA-N
Compound name
1-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

156.07211 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 132.0
[M+Na]+ 179.061328 141.4
[M-H]- 155.064834 134.9
[M+NH4]+ 174.105933 154.2
[M+K]+ 195.035268 139.2
[M+H-H2O]+ 139.069370 126.3
[M+HCOO]- 201.070311 150.7
[M+CH3COO]- 215.085961 179.1
[M+Na-2H]- 177.046776 132.2
[M]+ 156.07156142 133.1
[M]- 156.07265858 133.1
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