CID 79856892

1537286-10-4

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1(CCC2=CC(=NN=C21)Cl)C
InChI
InChI=1S/C9H11ClN2/c1-9(2)4-3-6-5-7(10)11-12-8(6)9/h5H,3-4H2,1-2H3
InChIKey
TZIYEYCBBSLOTC-UHFFFAOYSA-N
Compound name
3-chloro-7,7-dimethyl-5,6-dihydrocyclopenta[c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 136.1
[M+Na]+ 205.05030 147.6
[M-H]- 181.05380 138.3
[M+NH4]+ 200.09490 159.6
[M+K]+ 221.02424 143.3
[M+H-H2O]+ 165.05834 130.2
[M+HCOO]- 227.05928 152.7
[M+CH3COO]- 241.07493 150.2
[M+Na-2H]- 203.03575 142.9
[M]+ 182.06053 137.9
[M]- 182.06163 137.9
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.