CID 3937107

2-aminoethanethioamide hydrochloride

Structural Information

Molecular Formula
C2H6N2S
SMILES
C(C(=S)N)N
InChI
InChI=1S/C2H6N2S/c3-1-2(4)5/h1,3H2,(H2,4,5)
InChIKey
HFCQQLLYVUSCRE-UHFFFAOYSA-N
Compound name
2-aminoethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

212
Patents

90.02517 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.032446 114.6
[M+Na]+ 113.01439 121.7
[M-H]- 89.017894 114.4
[M+NH4]+ 108.05899 137.4
[M+K]+ 128.98833 120.2
[M+H-H2O]+ 73.022430 109.6
[M+HCOO]- 135.02337 133.7
[M+CH3COO]- 149.03902 167.1
[M+Na-2H]- 110.99984 117.2
[M]+ 90.024621 111.2
[M]- 90.025719 111.2
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