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
1
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]+ 171.18558 143.3
[M+Na]+ 193.16752 147.9
[M-H]- 169.17102 143.6
[M+NH4]+ 188.21212 163.8
[M+K]+ 209.14146 146.5
[M+H-H2O]+ 153.17556 137.1
[M+HCOO]- 215.17650 168.8
[M+CH3COO]- 229.19215 189.5
[M+Na-2H]- 191.15297 148.1
[M]+ 170.17775 144.6
[M]- 170.17885 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.