CID 13241

829-94-7

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

CN(C(=N)N)OCC1=CC=CC=C1

InChI

InChI=1S/C9H13N3O/c1-12(9(10)11)13-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H3,10,11)

InChIKey

KAKUXLBVZHOLRL-UHFFFAOYSA-N

Compound name

1-methyl-1-phenylmethoxyguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 179.10587 Da
Monoisotopic Mass: 0.8
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]+	180.11315	139.7
[M+Na]+	202.09509	148.9
[M+NH4]+	197.13969	147.5
[M+K]+	218.06903	144.0
[M-H]-	178.09859	143.0
[M+Na-2H]-	200.08054	146.2
[M]+	179.10532	141.6
[M]-	179.10642	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe