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

3
Patents

271.22598 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.23326 170.4
[M+Na]+ 294.21520 174.6
[M+NH4]+ 289.25980 174.7
[M+K]+ 310.18914 169.7
[M-H]- 270.21870 169.1
[M+Na-2H]- 292.20065 170.0
[M]+ 271.22543 169.8
[M]- 271.22653 169.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe