CID 10890096

4-(3-bromopropoxy)-1,2-dimethylbenzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC1=C(C=C(C=C1)OCCCBr)C
InChI
InChI=1S/C11H15BrO/c1-9-4-5-11(8-10(9)2)13-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
InChIKey
CJDDDZNHLXWDEJ-UHFFFAOYSA-N
Compound name
4-(3-bromopropoxy)-1,2-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03062 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.037896 146.2
[M+Na]+ 265.019838 157.7
[M-H]- 241.023344 152.6
[M+NH4]+ 260.064443 168.0
[M+K]+ 280.993778 146.9
[M+H-H2O]+ 225.027880 146.4
[M+HCOO]- 287.028821 167.8
[M+CH3COO]- 301.044471 191.6
[M+Na-2H]- 263.005286 152.9
[M]+ 242.03007142 167.4
[M]- 242.03116858 167.4
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