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]+ 179.04298 135.3
[M+Na]+ 201.02492 145.4
[M-H]- 177.02842 138.2
[M+NH4]+ 196.06952 159.1
[M+K]+ 216.99886 135.6
[M+H-H2O]+ 161.03296 136.1
[M+HCOO]- 223.03390 155.3
[M+CH3COO]- 237.04955 182.0
[M+Na-2H]- 199.01037 141.6
[M]+ 178.03515 154.5
[M]- 178.03625 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