CID 138579

Butane, 2-cyclopropyl-

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CCC(C)C1CC1

InChI

InChI=1S/C7H14/c1-3-6(2)7-4-5-7/h6-7H,3-5H2,1-2H3

InChIKey

INSSHDIMRIMVLZ-UHFFFAOYSA-N

Compound name

butan-2-ylcyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 850
Patents: 98.10955 Da
Monoisotopic Mass: 3.2
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]+	99.116826	120.5
[M+Na]+	121.098768	129.1
[M-H]-	97.102274	125.3
[M+NH4]+	116.143373	139.2
[M+K]+	137.072708	128.2
[M+H-H2O]+	81.106810	115.1
[M+HCOO]-	143.107751	143.5
[M+CH3COO]-	157.123401	173.5
[M+Na-2H]-	119.084216	126.8
[M]+	98.10900142	122.7
[M]-	98.11009858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe