CID 127003453

4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=C(N=C(S1)N)C(C)N
InChI
InChI=1S/C6H11N3S/c1-3(7)5-4(2)10-6(8)9-5/h3H,7H2,1-2H3,(H2,8,9)
InChIKey
XMCJIOQLUUPDMU-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.06737 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.074646 131.6
[M+Na]+ 180.056588 140.5
[M-H]- 156.060094 133.9
[M+NH4]+ 175.101193 153.0
[M+K]+ 196.030528 138.0
[M+H-H2O]+ 140.064630 125.5
[M+HCOO]- 202.065571 150.8
[M+CH3COO]- 216.081221 180.4
[M+Na-2H]- 178.042036 131.8
[M]+ 157.06682142 130.5
[M]- 157.06791858 130.5
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

No patent data available for this compound.