CID 19045

Sk&f 90238

Structural Information

Molecular Formula

C₁₀H₁₃N₃O

SMILES

CC1=C2C(=CC=C1)C(CO2)N=C(N)N

InChI

InChI=1S/C10H13N3O/c1-6-3-2-4-7-8(13-10(11)12)5-14-9(6)7/h2-4,8H,5H2,1H3,(H4,11,12,13)

InChIKey

WOKUTZISLOMEDR-UHFFFAOYSA-N

Compound name

2-(7-methyl-2,3-dihydro-1-benzofuran-3-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.10587 Da
Monoisotopic Mass: 0.5
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]+	192.113146	140.9
[M+Na]+	214.095088	148.0
[M-H]-	190.098594	146.8
[M+NH4]+	209.139693	161.5
[M+K]+	230.069028	146.8
[M+H-H2O]+	174.103130	134.6
[M+HCOO]-	236.104071	166.1
[M+CH3COO]-	250.119721	191.9
[M+Na-2H]-	212.080536	146.1
[M]+	191.10532142	138.4
[M]-	191.10641858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.