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

78
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 129.5
[M+Na]+ 179.03619 137.8
[M-H]- 155.03969 133.0
[M+NH4]+ 174.08079 150.9
[M+K]+ 195.01013 135.8
[M+H-H2O]+ 139.04423 122.6
[M+HCOO]- 201.04517 151.8
[M+CH3COO]- 215.06082 182.2
[M+Na-2H]- 177.02164 132.0
[M]+ 156.04642 128.0
[M]- 156.04752 128.0
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