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
2
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 254.3
[M+Na]+ 502.50707 268.4
[M-H]- 478.51057 251.7
[M+NH4]+ 497.55167 260.2
[M+K]+ 518.48101 267.8
[M+H-H2O]+ 462.51511 236.6
[M+HCOO]- 524.51605 244.9
[M+CH3COO]- 538.53170 261.3
[M+Na-2H]- 500.49252 232.5
[M]+ 479.51730 249.3
[M]- 479.51840 249.3
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.