CID 66284

7-bromo-1-heptanol

Structural Information

Molecular Formula
C7H15BrO
SMILES
C(CCCO)CCCBr
InChI
InChI=1S/C7H15BrO/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
MMXRRNUXCHUHOE-UHFFFAOYSA-N
Compound name
7-bromoheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1025
Patents

194.03062 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.037896 138.3
[M+Na]+ 217.019838 148.1
[M-H]- 193.023344 139.7
[M+NH4]+ 212.064443 160.8
[M+K]+ 232.993778 137.4
[M+H-H2O]+ 177.027880 139.0
[M+HCOO]- 239.028821 158.0
[M+CH3COO]- 253.044471 180.4
[M+Na-2H]- 215.005286 145.2
[M]+ 194.03007142 157.7
[M]- 194.03116858 157.7
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