CID 8057

1-bromopentane

Structural Information

Molecular Formula
C5H11Br
SMILES
CCCCCBr
InChI
InChI=1S/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H3
InChIKey
YZWKKMVJZFACSU-UHFFFAOYSA-N
Compound name
1-bromopentane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

31475
Patents

150.00441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01169 125.1
[M+Na]+ 172.99363 136.3
[M-H]- 148.99713 128.3
[M+NH4]+ 168.03823 150.0
[M+K]+ 188.96757 126.7
[M+H-H2O]+ 133.00167 126.4
[M+HCOO]- 195.00261 146.7
[M+CH3COO]- 209.01826 175.6
[M+Na-2H]- 170.97908 133.9
[M]+ 150.00386 144.3
[M]- 150.00496 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe