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]+ 177.02735 132.6
[M+Na]+ 199.00929 145.5
[M-H]- 175.01279 140.1
[M+NH4]+ 194.05389 153.7
[M+K]+ 214.98323 135.7
[M+H-H2O]+ 159.01733 133.6
[M+HCOO]- 221.01827 153.8
[M+CH3COO]- 235.03392 182.6
[M+Na-2H]- 196.99474 141.7
[M]+ 176.01952 153.3
[M]- 176.02062 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.