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

82
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 121.6
[M+Na]+ 152.02529 130.7
[M-H]- 128.02879 123.8
[M+NH4]+ 147.06989 143.8
[M+K]+ 167.99923 128.3
[M+H-H2O]+ 112.03333 115.5
[M+HCOO]- 174.03427 142.6
[M+CH3COO]- 188.04992 172.3
[M+Na-2H]- 150.01074 124.6
[M]+ 129.03552 120.0
[M]- 129.03662 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