CID 3015408

(2-ethylhexyl)guanidine monohydrochloride

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CCCCC(CC)CN=C(N)N

InChI

InChI=1S/C9H21N3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3,(H4,10,11,12)

InChIKey

LZAGBAMEMGMDQR-UHFFFAOYSA-N

Compound name

2-(2-ethylhexyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 171.17355 Da
Monoisotopic Mass: 1.8
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]+	172.180826	144.7
[M+Na]+	194.162768	148.4
[M-H]-	170.166274	144.9
[M+NH4]+	189.207373	164.3
[M+K]+	210.136708	147.9
[M+H-H2O]+	154.170810	138.3
[M+HCOO]-	216.171751	168.9
[M+CH3COO]-	230.187401	192.4
[M+Na-2H]-	192.148216	146.5
[M]+	171.17300142	142.4
[M]-	171.17409858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe