CID 45091922

171549-92-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NC1CC(C1)C=O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-4-7(5-8)6-12/h6-8H,4-5H2,1-3H3,(H,11,13)

InChIKey

KHXUZWUXKMBGES-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-formylcyclobutyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 183
Patents: 199.12085 Da
Monoisotopic Mass: 1.0
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]+	200.12813	145.8
[M+Na]+	222.11007	150.1
[M-H]-	198.11357	149.1
[M+NH4]+	217.15467	158.4
[M+K]+	238.08401	153.1
[M+H-H2O]+	182.11811	135.2
[M+HCOO]-	244.11905	165.9
[M+CH3COO]-	258.13470	189.7
[M+Na-2H]-	220.09552	149.3
[M]+	199.12030	155.2
[M]-	199.12140	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe