CID 21818971

24188-40-7

Structural Information

Molecular Formula
C8H13N3
SMILES
CC(C)NC1=C(C=CC=N1)N
InChI
InChI=1S/C8H13N3/c1-6(2)11-8-7(9)4-3-5-10-8/h3-6H,9H2,1-2H3,(H,10,11)
InChIKey
UJMMDSXBFLGSRF-UHFFFAOYSA-N
Compound name
2-N-propan-2-ylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

151.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 132.6
[M+Na]+ 174.100168 139.5
[M-H]- 150.103674 134.7
[M+NH4]+ 169.144773 151.8
[M+K]+ 190.074108 137.7
[M+H-H2O]+ 134.108210 125.8
[M+HCOO]- 196.109151 156.7
[M+CH3COO]- 210.124801 182.0
[M+Na-2H]- 172.085616 139.1
[M]+ 151.11040142 129.9
[M]- 151.11149858 129.9
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