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 121.6
[M+Na]+ 140.02529 128.3
[M-H]- 116.02879 123.2
[M+NH4]+ 135.06989 144.0
[M+K]+ 155.99923 127.1
[M+H-H2O]+ 100.03333 115.7
[M+HCOO]- 162.03427 143.6
[M+CH3COO]- 176.04992 175.4
[M+Na-2H]- 138.01074 125.5
[M]+ 117.03552 119.7
[M]- 117.03662 119.7
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.