CID 10043

Neurine

Structural Information

Molecular Formula
C5H12N
SMILES
C[N+](C)(C)C=C
InChI
InChI=1S/C5H12N/c1-5-6(2,3)4/h5H,1H2,2-4H3/q+1
InChIKey
PPJWCUOWPVSSSW-UHFFFAOYSA-N
Compound name
ethenyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1166
Patents

86.09698 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.104256 112.0
[M+Na]+ 109.08620 120.1
[M-H]- 85.089704 114.7
[M+NH4]+ 104.13080 136.7
[M+K]+ 125.06014 115.5
[M+H-H2O]+ 69.094240 111.4
[M+HCOO]- 131.09518 137.1
[M+CH3COO]- 145.11083 164.5
[M+Na-2H]- 107.07165 123.7
[M]+ 86.096431 111.3
[M]- 86.097529 111.3
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