CID 90046503

(3-bromopropoxy)cyclopropane

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC1OCCCBr
InChI
InChI=1S/C6H11BrO/c7-4-1-5-8-6-2-3-6/h6H,1-5H2
InChIKey
CRLOOAQXRHXDLI-UHFFFAOYSA-N
Compound name
3-bromopropoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.99933 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 132.7
[M+Na]+ 200.98855 145.3
[M-H]- 176.99205 139.8
[M+NH4]+ 196.03315 151.8
[M+K]+ 216.96249 135.1
[M+H-H2O]+ 160.99659 132.4
[M+HCOO]- 222.99753 154.6
[M+CH3COO]- 237.01318 182.0
[M+Na-2H]- 198.97400 141.1
[M]+ 177.99878 153.8
[M]- 177.99988 153.8
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