CID 14722757

2307928-96-5

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC/C=C/CO

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h4-5,11H,6-7H2,1-3H3,(H,10,12)/b5-4+

InChIKey

VYNNEQMTIKFYLS-SNAWJCMRSA-N

Compound name

tert-butyl N-[(E)-4-hydroxybut-2-enyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 187.12085 Da
Monoisotopic Mass: 0.6
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]+	188.12813	144.3
[M+Na]+	210.11007	150.0
[M-H]-	186.11357	143.1
[M+NH4]+	205.15467	163.4
[M+K]+	226.08401	149.1
[M+H-H2O]+	170.11811	139.6
[M+HCOO]-	232.11905	165.3
[M+CH3COO]-	246.13470	181.0
[M+Na-2H]-	208.09552	149.0
[M]+	187.12030	145.4
[M]-	187.12140	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe