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

11
Patents

153.10144 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10872 131.9
[M+Na]+ 176.09066 140.3
[M-H]- 152.09416 134.2
[M+NH4]+ 171.13526 151.8
[M+K]+ 192.06460 139.2
[M+H-H2O]+ 136.09870 124.2
[M+HCOO]- 198.09964 158.1
[M+CH3COO]- 212.11529 185.4
[M+Na-2H]- 174.07611 136.2
[M]+ 153.10089 129.4
[M]- 153.10199 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