CID 10877399

2-methyloctane-1,8-diamine

Structural Information

Molecular Formula
C9H22N2
SMILES
CC(CCCCCCN)CN
InChI
InChI=1S/C9H22N2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8,10-11H2,1H3
InChIKey
GAGWMWLBYJPFDD-UHFFFAOYSA-N
Compound name
2-methyloctane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5997
Patents

158.1783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.185576 141.9
[M+Na]+ 181.167518 145.8
[M-H]- 157.171024 140.4
[M+NH4]+ 176.212123 161.7
[M+K]+ 197.141458 144.5
[M+H-H2O]+ 141.175560 136.0
[M+HCOO]- 203.176501 164.4
[M+CH3COO]- 217.192151 185.5
[M+Na-2H]- 179.152966 144.2
[M]+ 158.17775142 139.9
[M]- 158.17884858 139.9
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