CID 12601449

3,3-dimethylbutan-2-yl carbonochloridate

Structural Information

Molecular Formula
C7H13ClO2
SMILES
CC(C(C)(C)C)OC(=O)Cl
InChI
InChI=1S/C7H13ClO2/c1-5(7(2,3)4)10-6(8)9/h5H,1-4H3
InChIKey
JIMYICRHCSFQPN-UHFFFAOYSA-N
Compound name
3,3-dimethylbutan-2-yl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.06041 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.067686 132.4
[M+Na]+ 187.049628 140.6
[M-H]- 163.053134 133.2
[M+NH4]+ 182.094233 154.5
[M+K]+ 203.023568 139.6
[M+H-H2O]+ 147.057670 129.7
[M+HCOO]- 209.058611 148.8
[M+CH3COO]- 223.074261 177.8
[M+Na-2H]- 185.035076 137.1
[M]+ 164.05986142 136.3
[M]- 164.06095858 136.3
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

patents stripe