CID 54025595

Pyrrolidin-3-yl n,n-dimethylcarbamate hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CN(C)C(=O)OC1CCNC1

InChI

InChI=1S/C7H14N2O2/c1-9(2)7(10)11-6-3-4-8-5-6/h6,8H,3-5H2,1-2H3

InChIKey

VGGYKDDTDHVRCA-UHFFFAOYSA-N

Compound name

pyrrolidin-3-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 158.10553 Da
Monoisotopic Mass: -0.1
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]+	159.11281	135.5
[M+Na]+	181.09475	140.5
[M-H]-	157.09825	137.3
[M+NH4]+	176.13935	156.2
[M+K]+	197.06869	141.1
[M+H-H2O]+	141.10279	129.0
[M+HCOO]-	203.10373	156.9
[M+CH3COO]-	217.11938	177.1
[M+Na-2H]-	179.08020	138.3
[M]+	158.10498	132.9
[M]-	158.10608	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe