CID 45091929

153248-47-6

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)NCC1(CC1)C=O

InChI

InChI=1S/C10H17NO3/c1-9(2,3)14-8(13)11-6-10(7-12)4-5-10/h7H,4-6H2,1-3H3,(H,11,13)

InChIKey

FBQUIIPSWDMUBM-UHFFFAOYSA-N

Compound name

tert-butyl N-[(1-formylcyclopropyl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 160
Patents: 199.12085 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]+	200.12813	145.8
[M+Na]+	222.11007	154.1
[M-H]-	198.11357	150.6
[M+NH4]+	217.15467	162.2
[M+K]+	238.08401	153.1
[M+H-H2O]+	182.11811	141.6
[M+HCOO]-	244.11905	167.9
[M+CH3COO]-	258.13470	188.4
[M+Na-2H]-	220.09552	152.4
[M]+	199.12030	151.2
[M]-	199.12140	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe