CID 117597

Guanidine, n''-dodecyl-n,n,n',n'-tetramethyl-

Structural Information

Molecular Formula
C17H37N3
SMILES
CCCCCCCCCCCCN=C(N(C)C)N(C)C
InChI
InChI=1S/C17H37N3/c1-6-7-8-9-10-11-12-13-14-15-16-18-17(19(2)3)20(4)5/h6-16H2,1-5H3
InChIKey
LLZLIADJRPRWGB-UHFFFAOYSA-N
Compound name
2-dodecyl-1,1,3,3-tetramethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

283.29874 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.306016 181.8
[M+Na]+ 306.287958 182.9
[M-H]- 282.291464 184.5
[M+NH4]+ 301.332563 199.0
[M+K]+ 322.261898 183.4
[M+H-H2O]+ 266.296000 173.5
[M+HCOO]- 328.296941 206.6
[M+CH3COO]- 342.312591 222.6
[M+Na-2H]- 304.273406 181.2
[M]+ 283.29819142 187.7
[M]- 283.29928858 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe