CID 9589493

114898-95-2

Structural Information

Molecular Formula
C7H11N5
SMILES
CN\1CCC/C1=N\C(=NC#N)N
InChI
InChI=1S/C7H11N5/c1-12-4-2-3-6(12)11-7(9)10-5-8/h2-4H2,1H3,(H2,9,10)/b11-6+
InChIKey
XSIJIXFBDGDDIE-IZZDOVSWSA-N
Compound name
(1E)-2-cyano-1-(1-methylpyrrolidin-2-ylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.10144 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.108716 136.9
[M+Na]+ 188.090658 144.2
[M-H]- 164.094164 140.2
[M+NH4]+ 183.135263 155.5
[M+K]+ 204.064598 143.4
[M+H-H2O]+ 148.098700 122.3
[M+HCOO]- 210.099641 159.0
[M+CH3COO]- 224.115291 199.2
[M+Na-2H]- 186.076106 140.4
[M]+ 165.10089142 128.0
[M]- 165.10198858 128.0
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.