CID 164123

121255-03-6

Structural Information

Molecular Formula
C12H28N2
SMILES
CC(C)NCCCC(C)CNC(C)C
InChI
InChI=1S/C12H28N2/c1-10(2)13-8-6-7-12(5)9-14-11(3)4/h10-14H,6-9H2,1-5H3
InChIKey
JPJUNWVJXUAVAC-UHFFFAOYSA-N
Compound name
2-methyl-N,N'-di(propan-2-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

17
Patents

200.22525 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.232526 156.7
[M+Na]+ 223.214468 159.0
[M-H]- 199.217974 156.0
[M+NH4]+ 218.259073 175.4
[M+K]+ 239.188408 158.6
[M+H-H2O]+ 183.222510 150.5
[M+HCOO]- 245.223451 177.5
[M+CH3COO]- 259.239101 197.6
[M+Na-2H]- 221.199916 157.0
[M]+ 200.22470142 156.6
[M]- 200.22579858 156.6
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