CID 24707088

3-(propan-2-yloxy)propanimidamide hydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂O

SMILES

CC(C)OCCC(=N)N

InChI

InChI=1S/C6H14N2O/c1-5(2)9-4-3-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)

InChIKey

OGHRVLDNKQZMLB-UHFFFAOYSA-N

Compound name

3-propan-2-yloxypropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 130.11061 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]+	131.117886	130.3
[M+Na]+	153.099828	135.5
[M-H]-	129.103334	130.0
[M+NH4]+	148.144433	151.3
[M+K]+	169.073768	135.6
[M+H-H2O]+	113.107870	124.9
[M+HCOO]-	175.108811	153.8
[M+CH3COO]-	189.124461	178.9
[M+Na-2H]-	151.085276	134.0
[M]+	130.11006142	128.2
[M]-	130.11115858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe