CID 43610817

N-(2-aminoethyl)-n-methyloxan-4-amine

Structural Information

Molecular Formula
C8H18N2O
SMILES
CN(CCN)C1CCOCC1
InChI
InChI=1S/C8H18N2O/c1-10(5-4-9)8-2-6-11-7-3-8/h8H,2-7,9H2,1H3
InChIKey
IYBLOPIXTVXFFW-UHFFFAOYSA-N
Compound name
N'-methyl-N'-(oxan-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

158.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 137.3
[M+Na]+ 181.131118 140.4
[M-H]- 157.134624 141.3
[M+NH4]+ 176.175723 156.3
[M+K]+ 197.105058 141.8
[M+H-H2O]+ 141.139160 130.6
[M+HCOO]- 203.140101 158.9
[M+CH3COO]- 217.155751 183.9
[M+Na-2H]- 179.116566 142.6
[M]+ 158.14135142 133.2
[M]- 158.14244858 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe