CID 11184839

61755-34-8

Structural Information

Molecular Formula
C6H11N2O
SMILES
C[N+]1=CN(C=C1)CCO
InChI
InChI=1S/C6H11N2O/c1-7-2-3-8(6-7)4-5-9/h2-3,6,9H,4-5H2,1H3/q+1
InChIKey
ZGZLRWJZGFRHHQ-UHFFFAOYSA-N
Compound name
2-(3-methylimidazol-3-ium-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

906
Patents

127.087135 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.09441 124.7
[M+Na]+ 150.07635 133.9
[M-H]- 126.07986 125.0
[M+NH4]+ 145.12096 145.4
[M+K]+ 166.05029 127.1
[M+H-H2O]+ 110.08440 121.2
[M+HCOO]- 172.08534 146.9
[M+CH3COO]- 186.10099 161.6
[M+Na-2H]- 148.06180 133.4
[M]+ 127.08659 123.9
[M]- 127.08768 123.9
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