CID 379378

136440-22-7

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC1=NC([N+](=C1)[O-])(C)C
InChI
InChI=1S/C6H10N2O/c1-5-4-8(9)6(2,3)7-5/h4H,1-3H3
InChIKey
CNIGTNPXWSLRPH-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1-oxidoimidazol-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

126.079315 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 122.2
[M+Na]+ 149.068533 133.1
[M-H]- 125.072039 123.1
[M+NH4]+ 144.113138 145.2
[M+K]+ 165.042473 127.6
[M+H-H2O]+ 109.076575 122.0
[M+HCOO]- 171.077516 145.3
[M+CH3COO]- 185.093166 161.9
[M+Na-2H]- 147.053981 131.2
[M]+ 126.07876642 121.4
[M]- 126.07986358 121.4
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