CID 70257

Butylcyclopropane

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CCCCC1CC1

InChI

InChI=1S/C7H14/c1-2-3-4-7-5-6-7/h7H,2-6H2,1H3

InChIKey

SXZVSSJONMPJMN-UHFFFAOYSA-N

Compound name

butylcyclopropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 3532
Patents: 98.10955 Da
Monoisotopic Mass: 3.5
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	120.9
[M+Na]+	121.09877	129.7
[M-H]-	97.102274	125.6
[M+NH4]+	116.14337	139.6
[M+K]+	137.07271	128.4
[M+H-H2O]+	81.106810	115.3
[M+HCOO]-	143.10775	144.8
[M+CH3COO]-	157.12340	172.7
[M+Na-2H]-	119.08422	128.3
[M]+	98.109001	123.6
[M]-	98.110099	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe