CID 14423437

Substituted amine

Structural Information

Molecular Formula
C15H29N3
SMILES
CN(C)C(=NC1CCCCC1)NC2CCCCC2
InChI
InChI=1S/C15H29N3/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKey
SNWGOHMXGANJON-UHFFFAOYSA-N
Compound name
2,3-dicyclohexyl-1,1-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30467
References

18
Patents

251.23615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.24343 163.3
[M+Na]+ 274.22537 161.4
[M-H]- 250.22887 169.8
[M+NH4]+ 269.26997 179.7
[M+K]+ 290.19931 160.7
[M+H-H2O]+ 234.23341 154.4
[M+HCOO]- 296.23435 182.8
[M+CH3COO]- 310.25000 206.1
[M+Na-2H]- 272.21082 164.3
[M]+ 251.23560 153.4
[M]- 251.23670 153.4
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