CID 15752628

(3-bromopropyl)cyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
C1CC(C1)CCCBr
InChI
InChI=1S/C7H13Br/c8-6-2-5-7-3-1-4-7/h7H,1-6H2
InChIKey
MYWUIQVJDNMTAC-UHFFFAOYSA-N
Compound name
3-bromopropylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 123.9
[M+Na]+ 199.009288 132.9
[M-H]- 175.012794 129.8
[M+NH4]+ 194.053893 141.7
[M+K]+ 214.983228 126.0
[M+H-H2O]+ 159.017330 120.4
[M+HCOO]- 221.018271 143.7
[M+CH3COO]- 235.033921 182.6
[M+Na-2H]- 196.994736 132.1
[M]+ 176.01952142 148.9
[M]- 176.02061858 148.9
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