CID 58462

Dodecylguanidin-acetate

Structural Information

Molecular Formula

C₁₄H₂₉N₃O₂

SMILES

CCCCCCCCCCCCN=C(N)NC(=O)O

InChI

InChI=1S/C14H29N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(15)17-14(18)19/h2-12H2,1H3,(H,18,19)(H3,15,16,17)

InChIKey

IDJRITYFMDYJJE-UHFFFAOYSA-N

Compound name

(N'-dodecylcarbamimidoyl)carbamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 271.22598 Da
Monoisotopic Mass: 5.1
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]+	272.233256	171.1
[M+Na]+	294.215198	172.6
[M-H]-	270.218704	169.4
[M+NH4]+	289.259803	186.2
[M+K]+	310.189138	170.7
[M+H-H2O]+	254.223240	163.5
[M+HCOO]-	316.224181	193.6
[M+CH3COO]-	330.239831	207.5
[M+Na-2H]-	292.200646	171.0
[M]+	271.22543142	171.8
[M]-	271.22652858	171.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe