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

106
Patents

153.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 127.3
[M+Na]+ 176.04305 137.1
[M-H]- 152.04655 131.5
[M+NH4]+ 171.08765 141.3
[M+K]+ 192.01699 129.5
[M+H-H2O]+ 136.05109 124.8
[M+HCOO]- 198.05203 151.1
[M+CH3COO]- 212.06768 169.9
[M+Na-2H]- 174.02850 135.4
[M]+ 153.05328 126.0
[M]- 153.05438 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