CID 3056927

73908-95-9

Structural Information

Molecular Formula
C3H6N2S
SMILES
C(CSC#N)N
InChI
InChI=1S/C3H6N2S/c4-1-2-6-3-5/h1-2,4H2
InChIKey
KFVGPBUWOJHTLO-UHFFFAOYSA-N
Compound name
2-aminoethyl thiocyanate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

102.02517 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.03245 119.3
[M+Na]+ 125.01439 128.9
[M-H]- 101.01789 120.8
[M+NH4]+ 120.05899 140.5
[M+K]+ 140.98833 128.4
[M+H-H2O]+ 85.022430 108.4
[M+HCOO]- 147.02337 135.7
[M+CH3COO]- 161.03902 181.1
[M+Na-2H]- 122.99984 123.6
[M]+ 102.02462 115.0
[M]- 102.02572 115.0
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