CID 2776666

100599-91-5

Structural Information

Molecular Formula
C5H8N4S
SMILES
CC1=CSC(=N1)N=C(N)N
InChI
InChI=1S/C5H8N4S/c1-3-2-10-5(8-3)9-4(6)7/h2H,1H3,(H4,6,7,8,9)
InChIKey
KMNUGKCCBPMHJL-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

64
Patents

156.04697 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.05425 130.7
[M+Na]+ 179.03619 138.7
[M+NH4]+ 174.08079 138.7
[M+K]+ 195.01013 134.4
[M-H]- 155.03969 133.0
[M+Na-2H]- 177.02164 135.3
[M]+ 156.04642 132.5
[M]- 156.04752 132.5
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