CID 59069657

152197-42-7

Structural Information

Molecular Formula

C₁₀H₂₃N₃

SMILES

CC(C)CC(=NCCNCCN)C

InChI

InChI=1S/C10H23N3/c1-9(2)8-10(3)13-7-6-12-5-4-11/h9,12H,4-8,11H2,1-3H3

InChIKey

IQOAGJXYOQMIAL-UHFFFAOYSA-N

Compound name

N'-[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 185.1892 Da
Monoisotopic Mass: 0.0
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]+	186.19648	149.1
[M+Na]+	208.17842	152.3
[M-H]-	184.18192	149.6
[M+NH4]+	203.22302	168.4
[M+K]+	224.15236	151.9
[M+H-H2O]+	168.18646	142.4
[M+HCOO]-	230.18740	173.6
[M+CH3COO]-	244.20305	196.1
[M+Na-2H]-	206.16387	151.4
[M]+	185.18865	148.2
[M]-	185.18975	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe