CID 22486

4-pentenyltrimethylammonium iodide

Structural Information

Molecular Formula
C8H18N
SMILES
C[N+](C)(C)CCCC=C
InChI
InChI=1S/C8H18N/c1-5-6-7-8-9(2,3)4/h5H,1,6-8H2,2-4H3/q+1
InChIKey
AKIQDTNKMMEIEP-UHFFFAOYSA-N
Compound name
trimethyl(pent-4-enyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

128.14392 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.15120 126.5
[M+Na]+ 151.13314 133.4
[M-H]- 127.13664 128.6
[M+NH4]+ 146.17774 149.5
[M+K]+ 167.10708 127.9
[M+H-H2O]+ 111.14118 125.2
[M+HCOO]- 173.14212 150.5
[M+CH3COO]- 187.15777 173.7
[M+Na-2H]- 149.11859 136.5
[M]+ 128.14337 126.9
[M]- 128.14447 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe