CID 199691

4760-36-5

Structural Information

Molecular Formula

C₁₂H₁₅N₃O

SMILES

CC(=NOCC1=NC2=CC=CC=C2N1C)C

InChI

InChI=1S/C12H15N3O/c1-9(2)14-16-8-12-13-10-6-4-5-7-11(10)15(12)3/h4-7H,8H2,1-3H3

InChIKey

QLDKVEGPGBKPKC-UHFFFAOYSA-N

Compound name

N-[(1-methylbenzimidazol-2-yl)methoxy]propan-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.1215 Da
Monoisotopic Mass: 1.6
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]+	218.12878	147.9
[M+Na]+	240.11072	157.9
[M-H]-	216.11422	151.8
[M+NH4]+	235.15532	167.5
[M+K]+	256.08466	155.3
[M+H-H2O]+	200.11876	140.0
[M+HCOO]-	262.11970	172.9
[M+CH3COO]-	276.13535	193.9
[M+Na-2H]-	238.09617	154.3
[M]+	217.12095	152.8
[M]-	217.12205	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe