CID 3033875

5,6-dimethylheptane-1,6-diamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(CCCCN)C(C)(C)N
InChI
InChI=1S/C9H22N2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7,10-11H2,1-3H3
InChIKey
HUXPKQXHDPXCMM-UHFFFAOYSA-N
Compound name
5,6-dimethylheptane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7960
Patents

158.1783 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 139.9
[M+Na]+ 181.16752 147.0
[M+NH4]+ 176.21212 147.1
[M+K]+ 197.14146 142.7
[M-H]- 157.17102 139.7
[M+Na-2H]- 179.15297 142.2
[M]+ 158.17775 140.5
[M]- 158.17885 140.5
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

patents stripe