CID 3015278

2-ethylbutyryl bromide

Structural Information

Molecular Formula
C6H11BrO
SMILES
CCC(CC)C(=O)Br
InChI
InChI=1S/C6H11BrO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3
InChIKey
WQSCTLOEMUQLLZ-UHFFFAOYSA-N
Compound name
2-ethylbutanoyl bromide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.99933 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 132.1
[M+Na]+ 200.988548 142.6
[M-H]- 176.992054 135.3
[M+NH4]+ 196.033153 155.7
[M+K]+ 216.962488 133.3
[M+H-H2O]+ 160.996590 133.0
[M+HCOO]- 222.997531 151.9
[M+CH3COO]- 237.013181 180.8
[M+Na-2H]- 198.973996 137.8
[M]+ 177.99878142 151.1
[M]- 177.99987858 151.1
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