CID 12580932

(2s)-2-(propan-2-yl)aziridine

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

CC(C)[C@H]1CN1

InChI

InChI=1S/C5H11N/c1-4(2)5-3-6-5/h4-6H,3H2,1-2H3/t5-/m1/s1

InChIKey

JHTQHOGTBDMULK-RXMQYKEDSA-N

Compound name

(2S)-2-propan-2-ylaziridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 85.08915 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]+	86.096426	117.6
[M+Na]+	108.07837	129.7
[M+NH4]+	103.12297	126.8
[M+K]+	124.05231	126.1
[M-H]-	84.081874	124.9
[M+Na-2H]-	106.06382	125.4
[M]+	85.088601	122.3
[M]-	85.089699	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe