CID 7890

2-bromopentane

Structural Information

Molecular Formula
C5H11Br
SMILES
CCCC(C)Br
InChI
InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey
LGAJYTCRJPCZRJ-UHFFFAOYSA-N
Compound name
2-bromopentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

1218
Patents

150.00441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.01169 124.6
[M+Na]+ 172.99363 126.8
[M+NH4]+ 168.03823 130.1
[M+K]+ 188.96757 127.0
[M-H]- 148.99713 123.8
[M+Na-2H]- 170.97908 126.7
[M]+ 150.00386 123.4
[M]- 150.00496 123.4
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