CID 165752636

2757954-79-1

Structural Information

Molecular Formula
C8H13BrO2
SMILES
COC(=O)CC1(CCC1)CBr
InChI
InChI=1S/C8H13BrO2/c1-11-7(10)5-8(6-9)3-2-4-8/h2-6H2,1H3
InChIKey
ISUPQLZJRIZVBD-UHFFFAOYSA-N
Compound name
methyl 2-[1-(bromomethyl)cyclobutyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.00989 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.017166 133.7
[M+Na]+ 242.999108 142.8
[M-H]- 219.002614 139.8
[M+NH4]+ 238.043713 151.5
[M+K]+ 258.973048 136.4
[M+H-H2O]+ 203.007150 131.0
[M+HCOO]- 265.008091 152.8
[M+CH3COO]- 279.023741 187.6
[M+Na-2H]- 240.984556 141.0
[M]+ 220.00934142 160.7
[M]- 220.01043858 160.7
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

No patent data available for this compound.