CID 3005129

Nsc675875

Structural Information

Molecular Formula
C9H14N4O
SMILES
CNC(=O)/C(=C(\N)/N1CCCC1)/C#N
InChI
InChI=1S/C9H14N4O/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
FFPZWCYSGHSFMM-BQYQJAHWSA-N
Compound name
(E)-3-amino-2-cyano-N-methyl-3-pyrrolidin-1-ylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 148.5
[M+Na]+ 217.10598 153.8
[M-H]- 193.10948 149.0
[M+NH4]+ 212.15058 164.7
[M+K]+ 233.07992 152.1
[M+H-H2O]+ 177.11402 134.3
[M+HCOO]- 239.11496 164.9
[M+CH3COO]- 253.13061 198.5
[M+Na-2H]- 215.09143 148.2
[M]+ 194.11621 137.4
[M]- 194.11731 137.4
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.