CID 10285845

18413-36-0

Structural Information

Molecular Formula
C7H16N6
SMILES
CN1CCN(CC1)C(=N)N=C(N)N
InChI
InChI=1S/C7H16N6/c1-12-2-4-13(5-3-12)7(10)11-6(8)9/h2-5H2,1H3,(H5,8,9,10,11)
InChIKey
ZGISTEMQWYSJHP-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-4-methylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

184.14365 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15093 143.1
[M+Na]+ 207.13287 146.7
[M-H]- 183.13637 143.9
[M+NH4]+ 202.17747 159.0
[M+K]+ 223.10681 145.7
[M+H-H2O]+ 167.14091 134.7
[M+HCOO]- 229.14185 164.1
[M+CH3COO]- 243.15750 192.4
[M+Na-2H]- 205.11832 146.1
[M]+ 184.14310 133.5
[M]- 184.14420 133.5
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

patents stripe