CID 3069538

Brn 4461516

Structural Information

Molecular Formula
C16H30N4
SMILES
CN1CCCCCC1=NCCN=C2CCCCCN2C
InChI
InChI=1S/C16H30N4/c1-19-13-7-3-5-9-15(19)17-11-12-18-16-10-6-4-8-14-20(16)2/h3-14H2,1-2H3
InChIKey
KXPMZQBGEQQXHO-UHFFFAOYSA-N
Compound name
1-methyl-N-[2-[(1-methylazepan-2-ylidene)amino]ethyl]azepan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.24704 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.25432 173.1
[M+Na]+ 301.23626 174.9
[M-H]- 277.23976 179.6
[M+NH4]+ 296.28086 184.2
[M+K]+ 317.21020 176.8
[M+H-H2O]+ 261.24430 163.2
[M+HCOO]- 323.24524 188.2
[M+CH3COO]- 337.26089 215.3
[M+Na-2H]- 299.22171 173.2
[M]+ 278.24649 163.3
[M]- 278.24759 163.3
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.