CID 3045556

60959-22-0

Structural Information

Molecular Formula
C9H16N6O
SMILES
CC1=C(C(=NO1)C)N(C)C(=N)N(C)C(=N)N
InChI
InChI=1S/C9H16N6O/c1-5-7(6(2)16-13-5)14(3)9(12)15(4)8(10)11/h12H,1-4H3,(H3,10,11)
InChIKey
ZHLPQNGKZCKUEH-UHFFFAOYSA-N
Compound name
1-carbamimidoyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1,3-dimethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13857 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14585 156.6
[M+Na]+ 247.12779 161.8
[M-H]- 223.13129 162.7
[M+NH4]+ 242.17239 173.5
[M+K]+ 263.10173 163.7
[M+H-H2O]+ 207.13583 147.9
[M+HCOO]- 269.13677 183.4
[M+CH3COO]- 283.15242 208.3
[M+Na-2H]- 245.11324 158.4
[M]+ 224.13802 155.1
[M]- 224.13912 155.1
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.