CID 3005130

Nsc675876

Structural Information

Molecular Formula
C9H14N4S
SMILES
CNC(=S)/C(=C(\N)/N1CCCC1)/C#N
InChI
InChI=1S/C9H14N4S/c1-12-9(14)7(6-10)8(11)13-4-2-3-5-13/h2-5,11H2,1H3,(H,12,14)/b8-7+
InChIKey
YAETUUWVMFXBHB-BQYQJAHWSA-N
Compound name
(E)-3-amino-2-cyano-N-methyl-3-pyrrolidin-1-ylprop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.09392 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10120 155.7
[M+Na]+ 233.08314 161.5
[M-H]- 209.08664 156.8
[M+NH4]+ 228.12774 172.1
[M+K]+ 249.05708 159.1
[M+H-H2O]+ 193.09118 141.8
[M+HCOO]- 255.09212 166.8
[M+CH3COO]- 269.10777 199.9
[M+Na-2H]- 231.06859 152.8
[M]+ 210.09337 145.7
[M]- 210.09447 145.7
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.