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]+ 186.069566 136.6
[M+Na]+ 208.051508 144.9
[M-H]- 184.055014 138.3
[M+NH4]+ 203.096113 158.0
[M+K]+ 224.025448 141.5
[M+H-H2O]+ 168.059550 131.0
[M+HCOO]- 230.060491 152.2
[M+CH3COO]- 244.076141 148.8
[M+Na-2H]- 206.036956 137.6
[M]+ 185.06174142 132.6
[M]- 185.06283858 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.