CID 39452

46398-60-1

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

CC1=C(C(=CC=C1)C)OCCN=C(N)N

InChI

InChI=1S/C11H17N3O/c1-8-4-3-5-9(2)10(8)15-7-6-14-11(12)13/h3-5H,6-7H2,1-2H3,(H4,12,13,14)

InChIKey

CKEYBAHJDLWWBQ-UHFFFAOYSA-N

Compound name

2-[2-(2,6-dimethylphenoxy)ethyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.13716 Da
Monoisotopic Mass: 1.1
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]+	208.14444	147.8
[M+Na]+	230.12638	154.1
[M-H]-	206.12988	152.0
[M+NH4]+	225.17098	166.3
[M+K]+	246.10032	152.3
[M+H-H2O]+	190.13442	140.6
[M+HCOO]-	252.13536	174.3
[M+CH3COO]-	266.15101	197.3
[M+Na-2H]-	228.11183	151.4
[M]+	207.13661	146.7
[M]-	207.13771	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe