CID 18520348

10595-61-6

Structural Information

Molecular Formula

C₁₂H₂₅N₃

SMILES

CCC(=NCCNCCN=C(C)CC)C

InChI

InChI=1S/C12H25N3/c1-5-11(3)14-9-7-13-8-10-15-12(4)6-2/h13H,5-10H2,1-4H3

InChIKey

NOJHYEMRGGBHOI-UHFFFAOYSA-N

Compound name

2-(butan-2-ylideneamino)-N-[2-(butan-2-ylideneamino)ethyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 248
Patents: 211.20485 Da
Monoisotopic Mass: 0.4
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]+	212.21213	155.8
[M+Na]+	234.19407	162.8
[M+NH4]+	229.23867	162.5
[M+K]+	250.16801	156.4
[M-H]-	210.19757	157.0
[M+Na-2H]-	232.17952	158.5
[M]+	211.20430	156.6
[M]-	211.20540	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe