CID 3057938

74277-10-4

Structural Information

Molecular Formula
C6H12N6
SMILES
CC1CC=NN1C(=N)N=C(N)N
InChI
InChI=1S/C6H12N6/c1-4-2-3-10-12(4)6(9)11-5(7)8/h3-4H,2H2,1H3,(H5,7,8,9,11)
InChIKey
UXRYQTWMYQBPJP-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-3-methyl-3,4-dihydropyrazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11235 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.11963 136.5
[M+Na]+ 191.10157 142.3
[M-H]- 167.10507 138.4
[M+NH4]+ 186.14617 155.0
[M+K]+ 207.07551 141.4
[M+H-H2O]+ 151.10961 128.1
[M+HCOO]- 213.11055 161.5
[M+CH3COO]- 227.12620 188.6
[M+Na-2H]- 189.08702 139.9
[M]+ 168.11180 130.0
[M]- 168.11290 130.0
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.