CID 3571581

29166-72-1

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

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

InChI

InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3

InChIKey

YQHJFPFNGVDEDT-UHFFFAOYSA-N

Compound name

2-tert-butyl-1,1,3,3-tetramethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2371
Patents: 171.17355 Da
Monoisotopic Mass: 0.8
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]+	172.18083	143.2
[M+Na]+	194.16277	148.3
[M-H]-	170.16627	147.9
[M+NH4]+	189.20737	165.3
[M+K]+	210.13671	151.3
[M+H-H2O]+	154.17081	137.3
[M+HCOO]-	216.17175	169.3
[M+CH3COO]-	230.18740	198.2
[M+Na-2H]-	192.14822	147.7
[M]+	171.17300	145.5
[M]-	171.17410	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe