CID 9589494

Brn 5530038

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]+ 194.14003 142.5
[M+Na]+ 216.12197 146.8
[M-H]- 192.12547 146.5
[M+NH4]+ 211.16657 157.4
[M+K]+ 232.09591 150.3
[M+H-H2O]+ 176.13001 127.7
[M+HCOO]- 238.13095 161.4
[M+CH3COO]- 252.14660 205.5
[M+Na-2H]- 214.10742 145.9
[M]+ 193.13220 130.3
[M]- 193.13330 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.