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]+ 158.07465 131.6
[M+Na]+ 180.05659 140.5
[M-H]- 156.06009 133.9
[M+NH4]+ 175.10119 153.0
[M+K]+ 196.03053 138.0
[M+H-H2O]+ 140.06463 125.5
[M+HCOO]- 202.06557 150.8
[M+CH3COO]- 216.08122 180.4
[M+Na-2H]- 178.04204 131.8
[M]+ 157.06682 130.5
[M]- 157.06792 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.