CID 3041558

54333-79-8

Structural Information

Molecular Formula
C12H26N4O2
SMILES
C1CC(C(CC1N)N)OC2C(CCC(O2)CN)N
InChI
InChI=1S/C12H26N4O2/c13-6-8-2-3-9(15)12(17-8)18-11-4-1-7(14)5-10(11)16/h7-12H,1-6,13-16H2
InChIKey
DOOQEGLUBXCKJH-UHFFFAOYSA-N
Compound name
4-[3-amino-6-(aminomethyl)oxan-2-yl]oxycyclohexane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.20557 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.21285 162.5
[M+Na]+ 281.19479 167.7
[M+NH4]+ 276.23939 169.0
[M+K]+ 297.16873 164.4
[M-H]- 257.19829 168.1
[M+Na-2H]- 279.18024 163.7
[M]+ 258.20502 164.1
[M]- 258.20612 164.1
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.