CID 193756

(2-aminoethyl)trimethyl chloride hydrochloride

Structural Information

Molecular Formula
C5H15N2
SMILES
C[N+](C)(C)CCN
InChI
InChI=1S/C5H15N2/c1-7(2,3)5-4-6/h4-6H2,1-3H3/q+1
InChIKey
QMRGNVUDLXOZPG-UHFFFAOYSA-N
Compound name
2-aminoethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2087
Patents

103.12352 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.13080 117.7
[M+Na]+ 126.11274 124.6
[M-H]- 102.11624 119.6
[M+NH4]+ 121.15734 141.1
[M+K]+ 142.08668 120.0
[M+H-H2O]+ 86.120780 116.4
[M+HCOO]- 148.12172 142.9
[M+CH3COO]- 162.13737 169.4
[M+Na-2H]- 124.09819 128.4
[M]+ 103.12297 115.8
[M]- 103.12407 115.8
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