CID 199683

Niosh/tm6125310

Structural Information

Molecular Formula
C7H15N5
SMILES
C1CCN(CC1)C(=N)N=C(N)N
InChI
InChI=1S/C7H15N5/c8-6(9)11-7(10)12-4-2-1-3-5-12/h1-5H2,(H5,8,9,10,11)
InChIKey
AWRTYWUCRPIUMW-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)piperidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

169.13275 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.14003 137.9
[M+Na]+ 192.12197 140.5
[M-H]- 168.12547 139.7
[M+NH4]+ 187.16657 155.4
[M+K]+ 208.09591 139.7
[M+H-H2O]+ 152.13001 130.1
[M+HCOO]- 214.13095 160.2
[M+CH3COO]- 228.14660 188.4
[M+Na-2H]- 190.10742 141.5
[M]+ 169.13220 127.3
[M]- 169.13330 127.3
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.