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

13
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 130.2
[M+Na]+ 199.00929 128.8
[M+NH4]+ 194.05389 132.7
[M+K]+ 214.98323 129.8
[M-H]- 175.01279 128.5
[M+Na-2H]- 196.99474 131.1
[M]+ 176.01952 127.3
[M]- 176.02062 127.3
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