CID 17937352

1-(bromomethyl)-1-(methoxymethyl)cyclopropane

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

31
Patents

177.99933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.006606 131.9
[M+Na]+ 200.988548 145.1
[M-H]- 176.992054 139.4
[M+NH4]+ 196.033153 152.9
[M+K]+ 216.962488 135.8
[M+H-H2O]+ 160.996590 133.0
[M+HCOO]- 222.997531 153.6
[M+CH3COO]- 237.013181 181.6
[M+Na-2H]- 198.973996 141.4
[M]+ 177.99878142 153.6
[M]- 177.99987858 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