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

2
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 115.8
[M+Na]+ 125.01439 125.1
[M+NH4]+ 120.05899 121.3
[M+K]+ 140.98833 115.5
[M-H]- 101.01789 109.6
[M+Na-2H]- 122.99984 117.9
[M]+ 102.02462 114.8
[M]- 102.02572 114.8
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