CID 3050769

Brn 0810091

Structural Information

Molecular Formula
C12H20N6
SMILES
CCN1C(=CC(=N1)C)NC(=NC(C)(C)C)NC#N
InChI
InChI=1S/C12H20N6/c1-6-18-10(7-9(2)17-18)15-11(14-8-13)16-12(3,4)5/h7H,6H2,1-5H3,(H2,14,15,16)
InChIKey
QGEZBHPWDFBQGX-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-(2-ethyl-5-methylpyrazol-3-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.17494 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18222 162.6
[M+Na]+ 271.16416 169.7
[M-H]- 247.16766 164.1
[M+NH4]+ 266.20876 177.1
[M+K]+ 287.13810 168.7
[M+H-H2O]+ 231.17220 147.2
[M+HCOO]- 293.17314 182.1
[M+CH3COO]- 307.18879 214.3
[M+Na-2H]- 269.14961 165.7
[M]+ 248.17439 157.7
[M]- 248.17549 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.