CID 214966

34694-91-2

Structural Information

Molecular Formula

C₈H₁₇N₃O

SMILES

C1CC(OC1)CCCN=C(N)N

InChI

InChI=1S/C8H17N3O/c9-8(10)11-5-1-3-7-4-2-6-12-7/h7H,1-6H2,(H4,9,10,11)

InChIKey

RULVDGROGOLQOM-UHFFFAOYSA-N

Compound name

2-[3-(oxolan-2-yl)propyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.13716 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]+	172.14444	140.9
[M+Na]+	194.12638	146.8
[M+NH4]+	189.17098	148.1
[M+K]+	210.10032	144.4
[M-H]-	170.12988	144.1
[M+Na-2H]-	192.11183	143.3
[M]+	171.13661	142.0
[M]-	171.13771	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.