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
1
Annotation Hits

0
References

7689
Patents

158.1783 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.18558 141.9
[M+Na]+ 181.16752 145.8
[M-H]- 157.17102 140.4
[M+NH4]+ 176.21212 161.7
[M+K]+ 197.14146 144.5
[M+H-H2O]+ 141.17556 136.0
[M+HCOO]- 203.17650 164.4
[M+CH3COO]- 217.19215 185.5
[M+Na-2H]- 179.15297 144.2
[M]+ 158.17775 139.9
[M]- 158.17885 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