CID 62141961

(3-bromopropoxy)cyclobutane

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC(C1)OCCCBr
InChI
InChI=1S/C7H13BrO/c8-5-2-6-9-7-3-1-4-7/h7H,1-6H2
InChIKey
IXKZKEUZDBWXGF-UHFFFAOYSA-N
Compound name
3-bromopropoxycyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 126.2
[M+Na]+ 215.004198 135.0
[M-H]- 191.007704 132.0
[M+NH4]+ 210.048803 143.3
[M+K]+ 230.978138 128.6
[M+H-H2O]+ 175.012240 122.4
[M+HCOO]- 237.013181 146.1
[M+CH3COO]- 251.028831 184.3
[M+Na-2H]- 212.989646 134.3
[M]+ 192.01443142 152.5
[M]- 192.01552858 152.5
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.