CID 121215428

2138021-00-6

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1COCC2=C1NN=C2CCl
InChI
InChI=1S/C7H9ClN2O/c8-3-7-5-4-11-2-1-6(5)9-10-7/h1-4H2,(H,9,10)
InChIKey
XVVHGWMQZXSNFR-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.04034 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.04762 133.5
[M+Na]+ 195.02956 142.3
[M-H]- 171.03306 134.0
[M+NH4]+ 190.07416 152.8
[M+K]+ 211.00350 139.3
[M+H-H2O]+ 155.03760 127.3
[M+HCOO]- 217.03854 146.8
[M+CH3COO]- 231.05419 146.1
[M+Na-2H]- 193.01501 140.1
[M]+ 172.03979 132.6
[M]- 172.04089 132.6
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.