CID 12284087

59961-57-8

Structural Information

Molecular Formula
C7H13N3S
SMILES
CN(C)CCC1=CN=C(S1)N
InChI
InChI=1S/C7H13N3S/c1-10(2)4-3-6-5-9-7(8)11-6/h5H,3-4H2,1-2H3,(H2,8,9)
InChIKey
SNJSEBXVQAYSBI-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

171.08302 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09030 135.6
[M+Na]+ 194.07224 143.6
[M-H]- 170.07574 139.4
[M+NH4]+ 189.11684 157.2
[M+K]+ 210.04618 142.2
[M+H-H2O]+ 154.08028 128.8
[M+HCOO]- 216.08122 156.7
[M+CH3COO]- 230.09687 185.4
[M+Na-2H]- 192.05769 137.5
[M]+ 171.08247 137.4
[M]- 171.08357 137.4
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