CID 43533836

4-n-[1-(oxolan-2-yl)ethyl]pyridine-3,4-diamine

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC(C1CCCO1)NC2=C(C=NC=C2)N
InChI
InChI=1S/C11H17N3O/c1-8(11-3-2-6-15-11)14-10-4-5-13-7-9(10)12/h4-5,7-8,11H,2-3,6,12H2,1H3,(H,13,14)
InChIKey
HEVLKRGBQKVEKS-UHFFFAOYSA-N
Compound name
4-N-[1-(oxolan-2-yl)ethyl]pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 147.0
[M+Na]+ 230.126378 151.7
[M-H]- 206.129884 152.1
[M+NH4]+ 225.170983 163.8
[M+K]+ 246.100318 150.4
[M+H-H2O]+ 190.134420 139.0
[M+HCOO]- 252.135361 168.7
[M+CH3COO]- 266.151011 189.4
[M+Na-2H]- 228.111826 150.8
[M]+ 207.13661142 142.8
[M]- 207.13770858 142.8
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.