CID 3050784

2-cyano-1-tert-pentyl-3-(2,6-xylyl)guanidine

Structural Information

Molecular Formula
C15H22N4
SMILES
CCC(C)(C)N=C(NC#N)NC1=C(C=CC=C1C)C
InChI
InChI=1S/C15H22N4/c1-6-15(4,5)19-14(17-10-16)18-13-11(2)8-7-9-12(13)3/h7-9H,6H2,1-5H3,(H2,17,18,19)
InChIKey
MGPCFLSZHITRBW-UHFFFAOYSA-N
Compound name
1-cyano-3-(2,6-dimethylphenyl)-2-(2-methylbutan-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.18445 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19173 169.5
[M+Na]+ 281.17367 176.4
[M-H]- 257.17717 173.5
[M+NH4]+ 276.21827 184.7
[M+K]+ 297.14761 174.0
[M+H-H2O]+ 241.18171 155.9
[M+HCOO]- 303.18265 190.0
[M+CH3COO]- 317.19830 218.2
[M+Na-2H]- 279.15912 172.6
[M]+ 258.18390 164.3
[M]- 258.18500 164.3
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

No patent data available for this compound.