CID 21097280

1192139-69-7

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

CN1C(=CN=C1N(C)C)C=O

InChI

InChI=1S/C7H11N3O/c1-9(2)7-8-4-6(5-11)10(7)3/h4-5H,1-3H3

InChIKey

MKUFYSSAOGGRMX-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-3-methylimidazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 153.09021 Da
Monoisotopic Mass: 0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	154.097486	130.4
[M+Na]+	176.079428	140.1
[M-H]-	152.082934	133.6
[M+NH4]+	171.124033	151.6
[M+K]+	192.053368	140.0
[M+H-H2O]+	136.087470	123.4
[M+HCOO]-	198.088411	155.8
[M+CH3COO]-	212.104061	182.5
[M+Na-2H]-	174.064876	135.6
[M]+	153.08966142	133.4
[M]-	153.09075858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe