CID 19762866

1-bromo-4-propylheptane

Structural Information

Molecular Formula
C10H21Br
SMILES
CCCC(CCC)CCCBr
InChI
InChI=1S/C10H21Br/c1-3-6-10(7-4-2)8-5-9-11/h10H,3-9H2,1-2H3
InChIKey
JYZUFTSYNSOVNI-UHFFFAOYSA-N
Compound name
1-bromo-4-propylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

220.08266 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.089936 149.2
[M+Na]+ 243.071878 158.2
[M-H]- 219.075384 151.6
[M+NH4]+ 238.116483 171.5
[M+K]+ 259.045818 147.6
[M+H-H2O]+ 203.079920 149.5
[M+HCOO]- 265.080861 168.3
[M+CH3COO]- 279.096511 190.4
[M+Na-2H]- 241.057326 153.9
[M]+ 220.08211142 169.5
[M]- 220.08320858 169.5
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