CID 92040804

Guanidine, n,n',n''-tris(3,7-dimethyloctyl)-, hydrochloride (1:1)

Structural Information

Molecular Formula
C31H65N3
SMILES
CC(C)CCCC(C)CCNC(=NCCC(C)CCCC(C)C)NCCC(C)CCCC(C)C
InChI
InChI=1S/C31H65N3/c1-25(2)13-10-16-28(7)19-22-32-31(33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h25-30H,10-24H2,1-9H3,(H2,32,33,34)
InChIKey
BTALMTXAXLYZLB-UHFFFAOYSA-N
Compound name
1,2,3-tris(3,7-dimethyloctyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.51785 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.52513 239.5
[M+Na]+ 502.50707 266.0
[M+NH4]+ 497.55167 261.7
[M+K]+ 518.48101 260.6
[M-H]- 478.51057 252.5
[M+Na-2H]- 500.49252 235.2
[M]+ 479.51730 257.2
[M]- 479.51840 257.2
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.