CID 117597

25661-96-5

Structural Information

Molecular Formula

C₁₇H₃₇N₃

SMILES

CCCCCCCCCCCCN=C(N(C)C)N(C)C

InChI

InChI=1S/C17H37N3/c1-6-7-8-9-10-11-12-13-14-15-16-18-17(19(2)3)20(4)5/h6-16H2,1-5H3

InChIKey

LLZLIADJRPRWGB-UHFFFAOYSA-N

Compound name

2-dodecyl-1,1,3,3-tetramethylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 283.29874 Da
Monoisotopic Mass: 5.4
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]+	284.30602	181.8
[M+Na]+	306.28796	182.9
[M-H]-	282.29146	184.5
[M+NH4]+	301.33256	199.0
[M+K]+	322.26190	183.4
[M+H-H2O]+	266.29600	173.5
[M+HCOO]-	328.29694	206.6
[M+CH3COO]-	342.31259	222.6
[M+Na-2H]-	304.27341	181.2
[M]+	283.29819	187.7
[M]-	283.29929	187.7

Literature stripe

literature stripe

Patent stripe

patents stripe