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

64
Patents

220.08266 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08994 149.2
[M+Na]+ 243.07188 158.2
[M-H]- 219.07538 151.6
[M+NH4]+ 238.11648 171.5
[M+K]+ 259.04582 147.6
[M+H-H2O]+ 203.07992 149.5
[M+HCOO]- 265.08086 168.3
[M+CH3COO]- 279.09651 190.4
[M+Na-2H]- 241.05733 153.9
[M]+ 220.08211 169.5
[M]- 220.08321 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