CID 126688

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

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=C(SC(=N1)N)CCN
InChI
InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8,9)
InChIKey
LHVRFUVVRXGZPV-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-4-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

52
References

335
Patents

157.06737 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 130.6
[M+Na]+ 180.05659 139.8
[M-H]- 156.06009 132.8
[M+NH4]+ 175.10119 152.1
[M+K]+ 196.03053 136.8
[M+H-H2O]+ 140.06463 124.4
[M+HCOO]- 202.06557 150.9
[M+CH3COO]- 216.08122 179.5
[M+Na-2H]- 178.04204 132.0
[M]+ 157.06682 130.1
[M]- 157.06792 130.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe