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]+ 173.047616 133.5
[M+Na]+ 195.029558 142.3
[M-H]- 171.033064 134.0
[M+NH4]+ 190.074163 152.8
[M+K]+ 211.003498 139.3
[M+H-H2O]+ 155.037600 127.3
[M+HCOO]- 217.038541 146.8
[M+CH3COO]- 231.054191 146.1
[M+Na-2H]- 193.015006 140.1
[M]+ 172.03979142 132.6
[M]- 172.04088858 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.