CID 10425

Trimethylallylammonium hydroxide

Structural Information

Molecular Formula
C6H14N
SMILES
C[N+](C)(C)CC=C
InChI
InChI=1S/C6H14N/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3/q+1
InChIKey
KGVWWFCEYXERAE-UHFFFAOYSA-N
Compound name
trimethyl(prop-2-enyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

38498
Patents

100.112625 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.11990 116.9
[M+Na]+ 123.10184 124.6
[M-H]- 99.105349 119.3
[M+NH4]+ 118.14645 141.0
[M+K]+ 139.07578 119.6
[M+H-H2O]+ 83.109885 116.1
[M+HCOO]- 145.11083 141.6
[M+CH3COO]- 159.12648 167.6
[M+Na-2H]- 121.08729 128.0
[M]+ 100.11208 116.5
[M]- 100.11317 116.5
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