CID 28948815

4-(aminomethyl)-n,n-dimethyl-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C6H11N3S
SMILES
CN(C)C1=NC(=CS1)CN
InChI
InChI=1S/C6H11N3S/c1-9(2)6-8-5(3-7)4-10-6/h4H,3,7H2,1-2H3
InChIKey
IOXPXNBQZCSGME-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N,N-dimethyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 131.2
[M+Na]+ 180.056588 139.6
[M-H]- 156.060094 135.1
[M+NH4]+ 175.101193 153.3
[M+K]+ 196.030528 138.5
[M+H-H2O]+ 140.064630 124.5
[M+HCOO]- 202.065571 152.6
[M+CH3COO]- 216.081221 182.4
[M+Na-2H]- 178.042036 133.5
[M]+ 157.06682142 132.6
[M]- 157.06791858 132.6
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