CID 81514

7065-46-5

Structural Information

Molecular Formula
C6H11ClO
SMILES
CC(C)(C)CC(=O)Cl
InChI
InChI=1S/C6H11ClO/c1-6(2,3)4-5(7)8/h4H2,1-3H3
InChIKey
BUTKIHRNYUEGKB-UHFFFAOYSA-N
Compound name
3,3-dimethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4199
Patents

134.04984 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 125.3
[M+Na]+ 157.039058 134.0
[M-H]- 133.042564 126.1
[M+NH4]+ 152.083663 148.5
[M+K]+ 173.012998 132.3
[M+H-H2O]+ 117.047100 122.8
[M+HCOO]- 179.048041 142.6
[M+CH3COO]- 193.063691 172.7
[M+Na-2H]- 155.024506 131.6
[M]+ 134.04929142 128.0
[M]- 134.05038858 128.0
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