CID 137699013

1-(3-bromopropyl)-1-methylcyclopropane

Structural Information

Molecular Formula
C7H13Br
SMILES
CC1(CC1)CCCBr
InChI
InChI=1S/C7H13Br/c1-7(4-5-7)3-2-6-8/h2-6H2,1H3
InChIKey
LVLNWGPSBXDEFW-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-1-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.027346 132.6
[M+Na]+ 199.009288 145.5
[M-H]- 175.012794 140.1
[M+NH4]+ 194.053893 153.7
[M+K]+ 214.983228 135.7
[M+H-H2O]+ 159.017330 133.6
[M+HCOO]- 221.018271 153.8
[M+CH3COO]- 235.033921 182.6
[M+Na-2H]- 196.994736 141.7
[M]+ 176.01952142 153.3
[M]- 176.02061858 153.3
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

No patent data available for this compound.