CID 79781561

4-azido-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C4H5N5
SMILES
CN1C=C(C=N1)N=[N+]=[N-]
InChI
InChI=1S/C4H5N5/c1-9-3-4(2-6-9)7-8-5/h2-3H,1H3
InChIKey
JOFDMQWZIPNZNK-UHFFFAOYSA-N
Compound name
4-azido-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.0545 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.06178 119.0
[M+Na]+ 146.04372 128.0
[M-H]- 122.04722 123.4
[M+NH4]+ 141.08832 140.7
[M+K]+ 162.01766 123.4
[M+H-H2O]+ 106.05176 115.9
[M+HCOO]- 168.05270 150.2
[M+CH3COO]- 182.06835 172.9
[M+Na-2H]- 144.02917 131.1
[M]+ 123.05395 117.1
[M]- 123.05505 117.1
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.