CID 65007363

1-(bromomethyl)-1-(methoxymethyl)cyclobutane

Structural Information

Molecular Formula
C7H13BrO
SMILES
COCC1(CCC1)CBr
InChI
InChI=1S/C7H13BrO/c1-9-6-7(5-8)3-2-4-7/h2-6H2,1H3
InChIKey
NBUQPMAWDXHYRV-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.02226 126.1
[M+Na]+ 215.00420 135.7
[M-H]- 191.00770 132.4
[M+NH4]+ 210.04880 145.1
[M+K]+ 230.97814 129.3
[M+H-H2O]+ 175.01224 123.8
[M+HCOO]- 237.01318 146.1
[M+CH3COO]- 251.02883 183.9
[M+Na-2H]- 212.98965 135.3
[M]+ 192.01443 152.8
[M]- 192.01553 152.8
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