CID 547015

121948-77-4

Structural Information

Molecular Formula

C₁₀H₂₃N₃

SMILES

CC(C)NC(=NC(C)C)NC(C)C

InChI

InChI=1S/C10H23N3/c1-7(2)11-10(12-8(3)4)13-9(5)6/h7-9H,1-6H3,(H2,11,12,13)

InChIKey

ALOOBTJGUXDERE-UHFFFAOYSA-N

Compound name

1,2,3-tri(propan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 64
Patents: 185.1892 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]+	186.196476	150.9
[M+Na]+	208.178418	154.0
[M-H]-	184.181924	152.3
[M+NH4]+	203.223023	170.6
[M+K]+	224.152358	154.9
[M+H-H2O]+	168.186460	144.5
[M+HCOO]-	230.187401	174.1
[M+CH3COO]-	244.203051	197.2
[M+Na-2H]-	206.163866	151.7
[M]+	185.18865142	149.6
[M]-	185.18974858	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe