CID 4058837

N'-cyclopentylidene(tert-butoxy)carbohydrazide

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

CC(C)(C)OC(=O)NN=C1CCCC1

InChI

InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-11-8-6-4-5-7-8/h4-7H2,1-3H3,(H,12,13)

InChIKey

JIWAYUZEWSSBRC-UHFFFAOYSA-N

Compound name

tert-butyl N-(cyclopentylideneamino)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 34
Patents: 198.13683 Da
Monoisotopic Mass: 1.6
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]+	199.14411	146.5
[M+Na]+	221.12605	150.9
[M-H]-	197.12955	150.8
[M+NH4]+	216.17065	167.6
[M+K]+	237.09999	150.9
[M+H-H2O]+	181.13409	140.6
[M+HCOO]-	243.13503	170.4
[M+CH3COO]-	257.15068	188.2
[M+Na-2H]-	219.11150	150.7
[M]+	198.13628	144.9
[M]-	198.13738	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe