CID 15782197

2-(3-bromopropyl)-5-methylfuran

Structural Information

Molecular Formula
C8H11BrO
SMILES
CC1=CC=C(O1)CCCBr
InChI
InChI=1S/C8H11BrO/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3,6H2,1H3
InChIKey
LTAHFFQVBBMRHQ-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)-5-methylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

201.99933 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.006606 138.5
[M+Na]+ 224.988548 150.7
[M-H]- 200.992054 145.6
[M+NH4]+ 220.033153 162.1
[M+K]+ 240.962488 141.6
[M+H-H2O]+ 184.996590 139.4
[M+HCOO]- 246.997531 160.9
[M+CH3COO]- 261.013181 182.2
[M+Na-2H]- 222.973996 146.0
[M]+ 201.99878142 159.5
[M]- 201.99987858 159.5
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