CID 17937352

338445-07-1

Structural Information

Molecular Formula
C6H11BrO
SMILES
COCC1(CC1)CBr
InChI
InChI=1S/C6H11BrO/c1-8-5-6(4-7)2-3-6/h2-5H2,1H3
InChIKey
DHAUYRIKURMMBU-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 131.9
[M+Na]+ 200.98855 145.1
[M-H]- 176.99205 139.4
[M+NH4]+ 196.03315 152.9
[M+K]+ 216.96249 135.8
[M+H-H2O]+ 160.99659 133.0
[M+HCOO]- 222.99753 153.6
[M+CH3COO]- 237.01318 181.6
[M+Na-2H]- 198.97400 141.4
[M]+ 177.99878 153.6
[M]- 177.99988 153.6
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