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

13
Patents

151.11095 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.6
[M+Na]+ 174.10017 139.5
[M-H]- 150.10367 134.7
[M+NH4]+ 169.14477 151.8
[M+K]+ 190.07411 137.7
[M+H-H2O]+ 134.10821 125.8
[M+HCOO]- 196.10915 156.7
[M+CH3COO]- 210.12480 182.0
[M+Na-2H]- 172.08562 139.1
[M]+ 151.11040 129.9
[M]- 151.11150 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