CID 268482

1471-56-3

Structural Information

Molecular Formula

C₈H₁₇NO₃

SMILES

CCCC(C)(CO)COC(=O)N

InChI

InChI=1S/C8H17NO3/c1-3-4-8(2,5-10)6-12-7(9)11/h10H,3-6H2,1-2H3,(H2,9,11)

InChIKey

YLMQVJBJTFVYNN-UHFFFAOYSA-N

Compound name

[2-(hydroxymethyl)-2-methylpentyl] carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 175.12085 Da
Monoisotopic Mass: 0.7
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]+	176.12813	140.9
[M+Na]+	198.11007	146.5
[M-H]-	174.11357	139.2
[M+NH4]+	193.15467	160.0
[M+K]+	214.08401	146.1
[M+H-H2O]+	158.11811	136.2
[M+HCOO]-	220.11905	161.3
[M+CH3COO]-	234.13470	180.3
[M+Na-2H]-	196.09552	145.0
[M]+	175.12030	141.6
[M]-	175.12140	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe