CID 3016607

2,3-dimethyl-2-isopropylbutyryl chloride

Structural Information

Molecular Formula
C9H17ClO
SMILES
CC(C)C(C)(C(C)C)C(=O)Cl
InChI
InChI=1S/C9H17ClO/c1-6(2)9(5,7(3)4)8(10)11/h6-7H,1-5H3
InChIKey
WMEBPQLEDFWBRX-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2-propan-2-ylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

176.09679 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.104066 137.6
[M+Na]+ 199.086008 144.6
[M-H]- 175.089514 138.1
[M+NH4]+ 194.130613 159.0
[M+K]+ 215.059948 143.0
[M+H-H2O]+ 159.094050 134.8
[M+HCOO]- 221.094991 152.1
[M+CH3COO]- 235.110641 184.1
[M+Na-2H]- 197.071456 140.0
[M]+ 176.09624142 140.4
[M]- 176.09733858 140.4
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