CID 17894354

Oxolan-3-yl carbamate

Structural Information

Molecular Formula

SMILES

C1COCC1OC(=O)N

InChI

InChI=1S/C5H9NO3/c6-5(7)9-4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)

InChIKey

NVLMGKWDOHQMGY-UHFFFAOYSA-N

Compound name

oxolan-3-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 131.05824 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]+	132.06552	124.8
[M+Na]+	154.04746	130.8
[M-H]-	130.05096	128.2
[M+NH4]+	149.09206	146.2
[M+K]+	170.02140	132.3
[M+H-H2O]+	114.05550	119.5
[M+HCOO]-	176.05644	147.7
[M+CH3COO]-	190.07209	169.5
[M+Na-2H]-	152.03291	129.8
[M]+	131.05769	122.7
[M]-	131.05879	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe