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]+ 208.14444 147.0
[M+Na]+ 230.12638 151.7
[M-H]- 206.12988 152.1
[M+NH4]+ 225.17098 163.8
[M+K]+ 246.10032 150.4
[M+H-H2O]+ 190.13442 139.0
[M+HCOO]- 252.13536 168.7
[M+CH3COO]- 266.15101 189.4
[M+Na-2H]- 228.11183 150.8
[M]+ 207.13661 142.8
[M]- 207.13771 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.