CID 12656857

3-(bromomethyl)-1,1-dimethylcyclobutane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CC(C1)CBr)C
InChI
InChI=1S/C7H13Br/c1-7(2)3-6(4-7)5-8/h6H,3-5H2,1-2H3
InChIKey
LXYGBCXUPQXFKM-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

176.02007 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 123.0
[M+Na]+ 199.009288 133.6
[M-H]- 175.012794 129.7
[M+NH4]+ 194.053893 143.0
[M+K]+ 214.983228 126.8
[M+H-H2O]+ 159.017330 121.2
[M+HCOO]- 221.018271 142.9
[M+CH3COO]- 235.033921 183.1
[M+Na-2H]- 196.994736 131.6
[M]+ 176.01952142 148.7
[M]- 176.02061858 148.7
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