CID 198192

Diisopropylguanidine

Structural Information

Molecular Formula

C₇H₁₇N₃

SMILES

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

InChI

InChI=1S/C7H17N3/c1-5(2)9-7(8)10-6(3)4/h5-6H,1-4H3,(H3,8,9,10)

InChIKey

MTZUNDSWFIDAOO-UHFFFAOYSA-N

Compound name

1,2-di(propan-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 154
Patents: 143.14224 Da
Monoisotopic Mass: 0.6
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]+	144.149516	136.6
[M+Na]+	166.131458	141.0
[M-H]-	142.134964	137.8
[M+NH4]+	161.176063	157.6
[M+K]+	182.105398	141.8
[M+H-H2O]+	126.139500	130.6
[M+HCOO]-	188.140441	161.1
[M+CH3COO]-	202.156091	187.2
[M+Na-2H]-	164.116906	139.1
[M]+	143.14169142	133.8
[M]-	143.14278858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe