CID 3088446

1-((3-butynyloxy)methyl)-2,3-dimethyl-1h-imidazolium chloride

Structural Information

Molecular Formula
C10H15N2O
SMILES
CC1=[N+](C=CN1COCCC#C)C
InChI
InChI=1S/C10H15N2O/c1-4-5-8-13-9-12-7-6-11(3)10(12)2/h1,6-7H,5,8-9H2,2-3H3/q+1
InChIKey
OFQCKNPKVTZTFB-UHFFFAOYSA-N
Compound name
1-(but-3-ynoxymethyl)-2,3-dimethylimidazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

179.11844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.12572 137.4
[M+Na]+ 202.10766 148.1
[M-H]- 178.11116 137.0
[M+NH4]+ 197.15226 154.4
[M+K]+ 218.08160 140.4
[M+H-H2O]+ 162.11570 126.5
[M+HCOO]- 224.11664 153.9
[M+CH3COO]- 238.13229 184.7
[M+Na-2H]- 200.09311 142.8
[M]+ 179.11789 133.8
[M]- 179.11899 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.