CID 469907

3964-15-6

Structural Information

Molecular Formula
C14H32N2
SMILES
CC(C)CC(C)NCCNC(C)CC(C)C
InChI
InChI=1S/C14H32N2/c1-11(2)9-13(5)15-7-8-16-14(6)10-12(3)4/h11-16H,7-10H2,1-6H3
InChIKey
LCKHBYOSKOUPOT-UHFFFAOYSA-N
Compound name
N,N'-bis(4-methylpentan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

68
Patents

228.25655 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.26383 166.4
[M+Na]+ 251.24577 167.6
[M-H]- 227.24927 165.4
[M+NH4]+ 246.29037 183.8
[M+K]+ 267.21971 167.2
[M+H-H2O]+ 211.25381 159.9
[M+HCOO]- 273.25475 185.5
[M+CH3COO]- 287.27040 204.5
[M+Na-2H]- 249.23122 164.3
[M]+ 228.25600 166.4
[M]- 228.25710 166.4
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.