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: 53
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]+	101.096086	119.1
[M+Na]+	123.078028	128.8
[M-H]-	99.081534	122.9
[M+NH4]+	118.122633	137.3
[M+K]+	139.051968	127.0
[M+H-H2O]+	83.086070	114.2
[M+HCOO]-	145.087011	142.1
[M+CH3COO]-	159.102661	170.0
[M+Na-2H]-	121.063476	125.8
[M]+	100.08826142	121.6
[M]-	100.08935858	121.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe