CID 114504

N,n-bis(2,3-epoxypropyl)cyclohexylamine

Structural Information

Molecular Formula
C12H21NO2
SMILES
C1CCC(CC1)N(CC2CO2)CC3CO3
InChI
InChI=1S/C12H21NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h10-12H,1-9H2
InChIKey
CLCWCGOCHZSFQE-UHFFFAOYSA-N
Compound name
N,N-bis(oxiran-2-ylmethyl)cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1133
Patents

211.15723 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.164506 154.8
[M+Na]+ 234.146448 158.8
[M-H]- 210.149954 165.7
[M+NH4]+ 229.191053 160.1
[M+K]+ 250.120388 161.5
[M+H-H2O]+ 194.154490 147.2
[M+HCOO]- 256.155431 171.9
[M+CH3COO]- 270.171081 202.0
[M+Na-2H]- 232.131896 158.7
[M]+ 211.15668142 157.5
[M]- 211.15777858 157.5
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

No patent data available for this compound.