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

22
Patents

158.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.3
[M+Na]+ 181.13112 140.4
[M-H]- 157.13462 141.3
[M+NH4]+ 176.17572 156.3
[M+K]+ 197.10506 141.8
[M+H-H2O]+ 141.13916 130.6
[M+HCOO]- 203.14010 158.9
[M+CH3COO]- 217.15575 183.9
[M+Na-2H]- 179.11657 142.6
[M]+ 158.14135 133.2
[M]- 158.14245 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