CID 18206

2,3-epoxypropyltrimethylammonium chloride

Structural Information

Molecular Formula
C6H14NO
SMILES
C[N+](C)(C)CC1CO1
InChI
InChI=1S/C6H14NO/c1-7(2,3)4-6-5-8-6/h6H,4-5H2,1-3H3/q+1
InChIKey
LRQFRDLKOBFOSG-UHFFFAOYSA-N
Compound name
trimethyl(oxiran-2-ylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

77
References

15649
Patents

116.10754 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.11482 114.5
[M+Na]+ 139.09676 123.7
[M-H]- 115.10026 121.8
[M+NH4]+ 134.14136 131.8
[M+K]+ 155.07070 119.9
[M+H-H2O]+ 99.104800 111.9
[M+HCOO]- 161.10574 138.7
[M+CH3COO]- 175.12139 172.6
[M+Na-2H]- 137.08221 127.6
[M]+ 116.10699 117.8
[M]- 116.10809 117.8
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