CID 3016610

2,4-dimethyloctane-1,8-diamine

Structural Information

Molecular Formula
C10H24N2
SMILES
CC(CCCCN)CC(C)CN
InChI
InChI=1S/C10H24N2/c1-9(5-3-4-6-11)7-10(2)8-12/h9-10H,3-8,11-12H2,1-2H3
InChIKey
SQAPJTNHAUBTOP-UHFFFAOYSA-N
Compound name
2,4-dimethyloctane-1,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1578
Patents

172.19395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.201226 147.5
[M+Na]+ 195.183168 150.8
[M-H]- 171.186674 146.0
[M+NH4]+ 190.227773 166.7
[M+K]+ 211.157108 149.7
[M+H-H2O]+ 155.191210 141.5
[M+HCOO]- 217.192151 168.6
[M+CH3COO]- 231.207801 189.4
[M+Na-2H]- 193.168616 147.9
[M]+ 172.19340142 145.2
[M]- 172.19449858 145.2
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