CID 104053468

3-(2-amino-1,3-thiazol-5-yl)pyrrolidin-3-ol

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C1CNCC1(C2=CN=C(S2)N)O
InChI
InChI=1S/C7H11N3OS/c8-6-10-3-5(12-6)7(11)1-2-9-4-7/h3,9,11H,1-2,4H2,(H2,8,10)
InChIKey
ASLCQMTUQJRRIU-UHFFFAOYSA-N
Compound name
3-(2-amino-1,3-thiazol-5-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06229 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06957 136.6
[M+Na]+ 208.05151 144.9
[M-H]- 184.05501 138.3
[M+NH4]+ 203.09611 158.0
[M+K]+ 224.02545 141.5
[M+H-H2O]+ 168.05955 131.0
[M+HCOO]- 230.06049 152.2
[M+CH3COO]- 244.07614 148.8
[M+Na-2H]- 206.03696 137.6
[M]+ 185.06174 132.6
[M]- 185.06284 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

No patent data available for this compound.