CID 3352185

2,2-dimethylpropyl carbonochloridate

Structural Information

Molecular Formula
C6H11ClO2
SMILES
CC(C)(C)COC(=O)Cl
InChI
InChI=1S/C6H11ClO2/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3
InChIKey
JUUBFHLPTCPVBO-UHFFFAOYSA-N
Compound name
2,2-dimethylpropyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1031
Patents

150.04475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.05203 128.5
[M+Na]+ 173.03397 137.2
[M-H]- 149.03747 129.3
[M+NH4]+ 168.07857 151.1
[M+K]+ 189.00791 136.0
[M+H-H2O]+ 133.04201 125.8
[M+HCOO]- 195.04295 146.1
[M+CH3COO]- 209.05860 173.9
[M+Na-2H]- 171.01942 134.8
[M]+ 150.04420 132.5
[M]- 150.04530 132.5
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