CID 379274

Nsc663780

Structural Information

Molecular Formula
C7H8N4S
SMILES
C=CCNC1=NC(=C(S1)N)C#N
InChI
InChI=1S/C7H8N4S/c1-2-3-10-7-11-5(4-8)6(9)12-7/h2H,1,3,9H2,(H,10,11)
InChIKey
RGXXRCQFFKZTQN-UHFFFAOYSA-N
Compound name
5-amino-2-(prop-2-enylamino)-1,3-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.04697 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05425 141.1
[M+Na]+ 203.03619 151.6
[M-H]- 179.03969 143.5
[M+NH4]+ 198.08079 159.5
[M+K]+ 219.01013 148.5
[M+H-H2O]+ 163.04423 127.8
[M+HCOO]- 225.04517 158.1
[M+CH3COO]- 239.06082 195.6
[M+Na-2H]- 201.02164 142.7
[M]+ 180.04642 136.1
[M]- 180.04752 136.1
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.