CID 2763914

339276-34-5

Structural Information

Molecular Formula
C11H14ClN3O2
SMILES
COC(=O)C1CCN(CC1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C11H14ClN3O2/c1-17-11(16)8-4-6-15(7-5-8)10-3-2-9(12)13-14-10/h2-3,8H,4-7H2,1H3
InChIKey
HPDABTZAYLFFDV-UHFFFAOYSA-N
Compound name
methyl 1-(6-chloropyridazin-3-yl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

36
Patents

255.07745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.08473 155.2
[M+Na]+ 278.06667 162.5
[M-H]- 254.07017 157.0
[M+NH4]+ 273.11127 168.6
[M+K]+ 294.04061 158.7
[M+H-H2O]+ 238.07471 146.0
[M+HCOO]- 300.07565 167.1
[M+CH3COO]- 314.09130 191.7
[M+Na-2H]- 276.05212 158.8
[M]+ 255.07690 154.5
[M]- 255.07800 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe