CID 2079395

4-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C8H13N3S
SMILES
C1CCN(C1)CC2=CSC(=N2)N
InChI
InChI=1S/C8H13N3S/c9-8-10-7(6-12-8)5-11-3-1-2-4-11/h6H,1-5H2,(H2,9,10)
InChIKey
UYCNPLJANDOZKX-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

183.08302 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09030 138.5
[M+Na]+ 206.07224 146.6
[M-H]- 182.07574 142.6
[M+NH4]+ 201.11684 159.5
[M+K]+ 222.04618 144.2
[M+H-H2O]+ 166.08028 131.4
[M+HCOO]- 228.08122 156.5
[M+CH3COO]- 242.09687 151.4
[M+Na-2H]- 204.05769 138.1
[M]+ 183.08247 136.7
[M]- 183.08357 136.7
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