CID 22064894

1300216-98-1

Structural Information

Molecular Formula
C4H7N3S
SMILES
C1=C(SC(=N1)N)CN
InChI
InChI=1S/C4H7N3S/c5-1-3-2-7-4(6)8-3/h2H,1,5H2,(H2,6,7)
InChIKey
YVCRAVNZOVGDKJ-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

129.03607 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 121.6
[M+Na]+ 152.025288 130.7
[M-H]- 128.028794 123.8
[M+NH4]+ 147.069893 143.8
[M+K]+ 167.999228 128.3
[M+H-H2O]+ 112.033330 115.5
[M+HCOO]- 174.034271 142.6
[M+CH3COO]- 188.049921 172.3
[M+Na-2H]- 150.010736 124.6
[M]+ 129.03552142 120.0
[M]- 129.03661858 120.0
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

patents stripe