CID 55280985

87037-84-1

Structural Information

Molecular Formula

C₆H₁₄N₂O₂

SMILES

CC(CN(C)C)OC(=O)N

InChI

InChI=1S/C6H14N2O2/c1-5(4-8(2)3)10-6(7)9/h5H,4H2,1-3H3,(H2,7,9)

InChIKey

ISSXNPKZCXRSNU-UHFFFAOYSA-N

Compound name

1-(dimethylamino)propan-2-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 146.10553 Da
Monoisotopic Mass: 0.0
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]+	147.11281	133.1
[M+Na]+	169.09475	138.6
[M-H]-	145.09825	134.4
[M+NH4]+	164.13935	154.2
[M+K]+	185.06869	140.6
[M+H-H2O]+	129.10279	127.4
[M+HCOO]-	191.10373	157.5
[M+CH3COO]-	205.11938	183.9
[M+Na-2H]-	167.08020	136.1
[M]+	146.10498	133.7
[M]-	146.10608	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe