CID 9589494

Guanidine, n-cyano-n'-(hexahydro-1-methyl-2h-azepin-2-ylidene)-

Structural Information

Molecular Formula
C9H15N5
SMILES
CN\1CCCCC/C1=N\C(=NC#N)N
InChI
InChI=1S/C9H15N5/c1-14-6-4-2-3-5-8(14)13-9(11)12-7-10/h2-6H2,1H3,(H2,11,12)/b13-8+
InChIKey
GLVRWKUIUSZEBJ-MDWZMJQESA-N
Compound name
(1E)-2-cyano-1-(1-methylazepan-2-ylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.13275 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.140026 142.5
[M+Na]+ 216.121968 146.8
[M-H]- 192.125474 146.5
[M+NH4]+ 211.166573 157.4
[M+K]+ 232.095908 150.3
[M+H-H2O]+ 176.130010 127.7
[M+HCOO]- 238.130951 161.4
[M+CH3COO]- 252.146601 205.5
[M+Na-2H]- 214.107416 145.9
[M]+ 193.13220142 130.3
[M]- 193.13329858 130.3
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.