CID 3084976

2,5-ionene

Structural Information

Molecular Formula
C11H27N2
SMILES
CCCCC[N+](C)(C)CCN(C)C
InChI
InChI=1S/C11H27N2/c1-6-7-8-10-13(4,5)11-9-12(2)3/h6-11H2,1-5H3/q+1
InChIKey
BLUCHQYEIXIKPJ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl-dimethyl-pentylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

187.21742 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.22470 145.7
[M+Na]+ 210.20664 150.2
[M-H]- 186.21014 148.5
[M+NH4]+ 205.25124 166.6
[M+K]+ 226.18058 145.8
[M+H-H2O]+ 170.21468 142.9
[M+HCOO]- 232.21562 169.9
[M+CH3COO]- 246.23127 192.2
[M+Na-2H]- 208.19209 153.4
[M]+ 187.21687 148.2
[M]- 187.21797 148.2
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