CID 120103

Chembl210205

Structural Information

Molecular Formula
C16H36N2
SMILES
CN(C)CCCCCCCCCCCCN(C)C
InChI
InChI=1S/C16H36N2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(3)4/h5-16H2,1-4H3
InChIKey
STZDFHAKFMWLAD-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetramethyldodecane-1,12-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

90
Patents

256.28784 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.29512 173.6
[M+Na]+ 279.27706 175.3
[M-H]- 255.28056 174.9
[M+NH4]+ 274.32166 191.5
[M+K]+ 295.25100 175.1
[M+H-H2O]+ 239.28510 166.0
[M+HCOO]- 301.28604 197.1
[M+CH3COO]- 315.30169 214.2
[M+Na-2H]- 277.26251 174.1
[M]+ 256.28729 179.6
[M]- 256.28839 179.6
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

patents stripe