CID 136673

Isopropylcyclobutane

Structural Information

Molecular Formula

C₇H₁₄

SMILES

CC(C)C1CCC1

InChI

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

InChIKey

RFHQRRJFJJCQDJ-UHFFFAOYSA-N

Compound name

propan-2-ylcyclobutane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 2
References: 2139
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	119.7
[M+Na]+	121.09877	124.9
[M-H]-	97.102274	123.2
[M+NH4]+	116.14337	136.7
[M+K]+	137.07271	127.8
[M+H-H2O]+	81.106810	110.4
[M+HCOO]-	143.10775	140.6
[M+CH3COO]-	157.12340	172.9
[M+Na-2H]-	119.08422	125.1
[M]+	98.109001	126.5
[M]-	98.110099	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe