CID 116610

Einecs 264-856-9

Structural Information

Molecular Formula
C10H22N2
SMILES
CCCC=NCCCCCCN
InChI
InChI=1S/C10H22N2/c1-2-3-9-12-10-7-5-4-6-8-11/h9H,2-8,10-11H2,1H3
InChIKey
UCCHHQBTFYDPMX-UHFFFAOYSA-N
Compound name
6-(butylideneamino)hexan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

170.1783 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.185576 143.3
[M+Na]+ 193.167518 147.9
[M-H]- 169.171024 143.6
[M+NH4]+ 188.212123 163.8
[M+K]+ 209.141458 146.5
[M+H-H2O]+ 153.175560 137.1
[M+HCOO]- 215.176501 168.8
[M+CH3COO]- 229.192151 189.5
[M+Na-2H]- 191.152966 148.1
[M]+ 170.17775142 144.6
[M]- 170.17884858 144.6
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.