CID 17763800

1-bromo-3-ethylpentane

Structural Information

Molecular Formula
C7H15Br
SMILES
CCC(CC)CCBr
InChI
InChI=1S/C7H15Br/c1-3-7(4-2)5-6-8/h7H,3-6H2,1-2H3
InChIKey
XNRMWPQRKZTIGI-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylpentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

178.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04298 133.6
[M+Na]+ 201.02492 135.4
[M+NH4]+ 196.06952 138.8
[M+K]+ 216.99886 135.1
[M-H]- 177.02842 132.7
[M+Na-2H]- 199.01037 135.1
[M]+ 178.03515 132.3
[M]- 178.03625 132.3
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