CID 169980

Cyclopropanemethanol, 2-ethyl-, trans-

Structural Information

Molecular Formula

C₆H₁₂O

SMILES

CCC1CC1CO

InChI

InChI=1S/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3

InChIKey

BGKKZLRPGJYFIP-UHFFFAOYSA-N

Compound name

(2-ethylcyclopropyl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 39
Patents: 100.08881 Da
Monoisotopic Mass: 1.3
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]+	101.09609	119.1
[M+Na]+	123.07803	128.8
[M-H]-	99.081534	122.9
[M+NH4]+	118.12263	137.3
[M+K]+	139.05197	127.0
[M+H-H2O]+	83.086070	114.2
[M+HCOO]-	145.08701	142.1
[M+CH3COO]-	159.10266	170.0
[M+Na-2H]-	121.06348	125.8
[M]+	100.08826	121.6
[M]-	100.08936	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe