CID 8119

Hexamethyleneimine

Structural Information

Molecular Formula
C6H13N
SMILES
C1CCCNCC1
InChI
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChIKey
ZSIQJIWKELUFRJ-UHFFFAOYSA-N
Compound name
azepane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

58
References

108996
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 116.6
[M+Na]+ 122.09402 118.8
[M-H]- 98.097524 117.4
[M+NH4]+ 117.13862 135.7
[M+K]+ 138.06796 121.6
[M+H-H2O]+ 82.102060 110.9
[M+HCOO]- 144.10300 134.2
[M+CH3COO]- 158.11865 165.3
[M+Na-2H]- 120.07947 123.3
[M]+ 99.104251 106.5
[M]- 99.105349 106.5
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.