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

75
Patents

129.03607 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04335 122.5
[M+Na]+ 152.02529 131.8
[M+NH4]+ 147.06989 131.3
[M+K]+ 167.99923 126.9
[M-H]- 128.02879 124.6
[M+Na-2H]- 150.01074 127.5
[M]+ 129.03552 124.6
[M]- 129.03662 124.6
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

patents stripe