CID 543850

15-bromopentadecan-1-ol

Structural Information

Molecular Formula
C15H31BrO
SMILES
C(CCCCCCCO)CCCCCCCBr
InChI
InChI=1S/C15H31BrO/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h17H,1-15H2
InChIKey
NFKUZUMZRQLYCW-UHFFFAOYSA-N
Compound name
15-bromopentadecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

306.15582 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16310 174.4
[M+Na]+ 329.14504 181.1
[M-H]- 305.14854 174.3
[M+NH4]+ 324.18964 192.6
[M+K]+ 345.11898 168.2
[M+H-H2O]+ 289.15308 173.5
[M+HCOO]- 351.15402 191.5
[M+CH3COO]- 365.16967 202.8
[M+Na-2H]- 327.13049 177.1
[M]+ 306.15527 196.6
[M]- 306.15637 196.6
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