CID 58488

Guanidine, 3-dodecyl-1-nitro-

Structural Information

Molecular Formula
C13H28N4O2
SMILES
CCCCCCCCCCCCN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C13H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17(18)19/h2-12H2,1H3,(H3,14,15,16)
InChIKey
WSWZXMIHHIYAMY-UHFFFAOYSA-N
Compound name
2-dodecyl-1-nitroguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.22122 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.22850 168.1
[M+Na]+ 295.21044 169.5
[M-H]- 271.21394 167.8
[M+NH4]+ 290.25504 183.1
[M+K]+ 311.18438 164.1
[M+H-H2O]+ 255.21848 165.0
[M+HCOO]- 317.21942 193.9
[M+CH3COO]- 331.23507 204.5
[M+Na-2H]- 293.19589 171.4
[M]+ 272.22067 167.7
[M]- 272.22177 167.7
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

No patent data available for this compound.