CID 45000

Tetradecanediguanidine dihydrochloride

Structural Information

Molecular Formula
C16H36N6
SMILES
C(CCCCCCCN=C(N)N)CCCCCCN=C(N)N
InChI
InChI=1S/C16H36N6/c17-15(18)21-13-11-9-7-5-3-1-2-4-6-8-10-12-14-22-16(19)20/h1-14H2,(H4,17,18,21)(H4,19,20,22)
InChIKey
UIGIBHJVBMMODV-UHFFFAOYSA-N
Compound name
2-[14-(diaminomethylideneamino)tetradecyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.30014 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.30742 179.3
[M+Na]+ 335.28936 178.4
[M-H]- 311.29286 178.5
[M+NH4]+ 330.33396 192.2
[M+K]+ 351.26330 176.5
[M+H-H2O]+ 295.29740 169.7
[M+HCOO]- 357.29834 204.6
[M+CH3COO]- 371.31399 229.1
[M+Na-2H]- 333.27481 177.3
[M]+ 312.29959 176.3
[M]- 312.30069 176.3
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.