CID 12547644

2,3-dimethylbutanoyl chloride

Structural Information

Molecular Formula
C6H11ClO
SMILES
CC(C)C(C)C(=O)Cl
InChI
InChI=1S/C6H11ClO/c1-4(2)5(3)6(7)8/h4-5H,1-3H3
InChIKey
MYJXBWNOORYUSN-UHFFFAOYSA-N
Compound name
2,3-dimethylbutanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

134.04984 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 125.3
[M+Na]+ 157.03906 133.0
[M-H]- 133.04256 125.8
[M+NH4]+ 152.08366 148.1
[M+K]+ 173.01300 131.8
[M+H-H2O]+ 117.04710 122.3
[M+HCOO]- 179.04804 142.1
[M+CH3COO]- 193.06369 174.8
[M+Na-2H]- 155.02451 128.4
[M]+ 134.04929 127.2
[M]- 134.05039 127.2
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