CID 138514

1-methylbutylcyclopropane

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCCC(C)C1CC1

InChI

InChI=1S/C8H16/c1-3-4-7(2)8-5-6-8/h7-8H,3-6H2,1-2H3

InChIKey

HDRPKFBKHPJRQK-UHFFFAOYSA-N

Compound name

pentan-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 141
Patents: 112.1252 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.132476	124.8
[M+Na]+	135.114418	133.0
[M-H]-	111.117924	129.5
[M+NH4]+	130.159023	143.0
[M+K]+	151.088358	131.8
[M+H-H2O]+	95.122460	119.2
[M+HCOO]-	157.123401	147.5
[M+CH3COO]-	171.139051	176.4
[M+Na-2H]-	133.099866	130.6
[M]+	112.12465142	127.4
[M]-	112.12574858	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe