CID 13789860

(4-bromobutyl)cyclopropane

Structural Information

Molecular Formula
C7H13Br
SMILES
C1CC1CCCCBr
InChI
InChI=1S/C7H13Br/c8-6-2-1-3-7-4-5-7/h7H,1-6H2
InChIKey
MNOCGYQGBQULQR-UHFFFAOYSA-N
Compound name
4-bromobutylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 133.5
[M+Na]+ 199.009288 145.8
[M-H]- 175.012794 140.5
[M+NH4]+ 194.053893 152.8
[M+K]+ 214.983228 135.2
[M+H-H2O]+ 159.017330 133.2
[M+HCOO]- 221.018271 155.0
[M+CH3COO]- 235.033921 183.0
[M+Na-2H]- 196.994736 141.6
[M]+ 176.01952142 153.7
[M]- 176.02061858 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe