CID 21916876

2-(cyclopropylmethyl)thiophene

Structural Information

Molecular Formula

C₈H₁₀S

SMILES

C1CC1CC2=CC=CS2

InChI

InChI=1S/C8H10S/c1-2-8(9-5-1)6-7-3-4-7/h1-2,5,7H,3-4,6H2

InChIKey

RBHSPTRCWQKENV-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethyl)thiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 138.05032 Da
Monoisotopic Mass: 3.4
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]+	139.05760	121.4
[M+Na]+	161.03954	131.6
[M-H]-	137.04304	129.5
[M+NH4]+	156.08414	140.7
[M+K]+	177.01348	129.1
[M+H-H2O]+	121.04758	115.7
[M+HCOO]-	183.04852	142.5
[M+CH3COO]-	197.06417	136.3
[M+Na-2H]-	159.02499	125.4
[M]+	138.04977	125.1
[M]-	138.05087	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe