CID 6453090

Guanidine, (3,5-dimethyl-1h-pyrazol-1-yl)-, mononitrate

Structural Information

Molecular Formula
C6H11N5
SMILES
CC1=CC(=NN1N=C(N)N)C
InChI
InChI=1S/C6H11N5/c1-4-3-5(2)11(9-4)10-6(7)8/h3H,1-2H3,(H4,7,8,10)
InChIKey
ATRCEYNJCBJGAZ-UHFFFAOYSA-N
Compound name
2-(3,5-dimethylpyrazol-1-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

153.10144 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 131.9
[M+Na]+ 176.090658 140.3
[M-H]- 152.094164 134.2
[M+NH4]+ 171.135263 151.8
[M+K]+ 192.064598 139.2
[M+H-H2O]+ 136.098700 124.2
[M+HCOO]- 198.099641 158.1
[M+CH3COO]- 212.115291 185.4
[M+Na-2H]- 174.076106 136.2
[M]+ 153.10089142 129.4
[M]- 153.10198858 129.4
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