CID 56777242

1249581-67-6

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC1C2=C(C=NN2)[N+](=O)[O-]
InChI
InChI=1S/C6H7N3O2/c10-9(11)5-3-7-8-6(5)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChIKey
WRYNUOFZIOHDEB-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-nitro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

153.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.061106 127.3
[M+Na]+ 176.043048 137.1
[M-H]- 152.046554 131.5
[M+NH4]+ 171.087653 141.3
[M+K]+ 192.016988 129.5
[M+H-H2O]+ 136.051090 124.8
[M+HCOO]- 198.052031 151.1
[M+CH3COO]- 212.067681 169.9
[M+Na-2H]- 174.028496 135.4
[M]+ 153.05328142 126.0
[M]- 153.05437858 126.0
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

patents stripe