CID 26007

3-butenyltrimethylammonium iodide

Structural Information

Molecular Formula
C7H16N
SMILES
C[N+](C)(C)CCC=C
InChI
InChI=1S/C7H16N/c1-5-6-7-8(2,3)4/h5H,1,6-7H2,2-4H3/q+1
InChIKey
MCDJQQYRAVOWJR-UHFFFAOYSA-N
Compound name
but-3-enyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

96
Patents

114.12827 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.13555 121.7
[M+Na]+ 137.11749 129.0
[M-H]- 113.12099 124.0
[M+NH4]+ 132.16209 145.3
[M+K]+ 153.09143 123.7
[M+H-H2O]+ 97.125530 120.7
[M+HCOO]- 159.12647 146.1
[M+CH3COO]- 173.14212 170.6
[M+Na-2H]- 135.10294 132.2
[M]+ 114.12772 121.7
[M]- 114.12882 121.7
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