CID 175171

Einecs 276-849-8

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₂

SMILES

CC1CN1C(=O)CCCCCCCC(=O)N2CC2C

InChI

InChI=1S/C15H26N2O2/c1-12-10-16(12)14(18)8-6-4-3-5-7-9-15(19)17-11-13(17)2/h12-13H,3-11H2,1-2H3

InChIKey

ACWZISJYAYAEPT-UHFFFAOYSA-N

Compound name

1,9-bis(2-methylaziridin-1-yl)nonane-1,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 266.19943 Da
Monoisotopic Mass: 1.8
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]+	267.20671	181.8
[M+Na]+	289.18865	188.2
[M-H]-	265.19215	185.7
[M+NH4]+	284.23325	185.6
[M+K]+	305.16259	183.8
[M+H-H2O]+	249.19669	173.9
[M+HCOO]-	311.19763	197.3
[M+CH3COO]-	325.21328	210.4
[M+Na-2H]-	287.17410	179.0
[M]+	266.19888	188.4
[M]-	266.19998	188.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe