CID 9571125

2302-95-6

Structural Information

Molecular Formula
C3H7N3S
SMILES
C/C=N/C(=S)NN
InChI
InChI=1S/C3H7N3S/c1-2-5-3(7)6-4/h2H,4H2,1H3,(H,6,7)/b5-2+
InChIKey
CNBVBIQXEDJEJG-GORDUTHDSA-N
Compound name
(3E)-1-amino-3-ethylidenethiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

117.03607 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.04335 123.2
[M+Na]+ 140.02529 130.7
[M+NH4]+ 135.06989 131.3
[M+K]+ 155.99923 124.3
[M-H]- 116.02879 124.4
[M+Na-2H]- 138.01074 126.7
[M]+ 117.03552 124.6
[M]- 117.03662 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

No patent data available for this compound.