CID 135318662

Schembl20488506

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

COC1CCC(C1)NC(=O)O

InChI

InChI=1S/C7H13NO3/c1-11-6-3-2-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)

InChIKey

OQQDHPOKCSKBHU-UHFFFAOYSA-N

Compound name

(3-methoxycyclopentyl)carbamic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 159.08954 Da
Monoisotopic Mass: 0.4
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]+	160.096816	133.5
[M+Na]+	182.078758	139.1
[M-H]-	158.082264	135.5
[M+NH4]+	177.123363	155.0
[M+K]+	198.052698	138.7
[M+H-H2O]+	142.086800	128.3
[M+HCOO]-	204.087741	155.8
[M+CH3COO]-	218.103391	174.9
[M+Na-2H]-	180.064206	136.5
[M]+	159.08899142	131.0
[M]-	159.09008858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe