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

42
Patents

178.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.042976 135.3
[M+Na]+ 201.024918 145.4
[M-H]- 177.028424 138.2
[M+NH4]+ 196.069523 159.1
[M+K]+ 216.998858 135.6
[M+H-H2O]+ 161.032960 136.1
[M+HCOO]- 223.033901 155.3
[M+CH3COO]- 237.049551 182.0
[M+Na-2H]- 199.010366 141.6
[M]+ 178.03515142 154.5
[M]- 178.03624858 154.5
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