CID 64237746

1216005-88-7

Structural Information

Molecular Formula
C9H15N3
SMILES
CC1=C(C(=NC=C1)NC(C)C)N
InChI
InChI=1S/C9H15N3/c1-6(2)12-9-8(10)7(3)4-5-11-9/h4-6H,10H2,1-3H3,(H,11,12)
InChIKey
XNIASXMGYVDMPG-UHFFFAOYSA-N
Compound name
4-methyl-2-N-propan-2-ylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 137.4
[M+Na]+ 188.11582 144.8
[M-H]- 164.11932 139.7
[M+NH4]+ 183.16042 156.3
[M+K]+ 204.08976 142.8
[M+H-H2O]+ 148.12386 130.6
[M+HCOO]- 210.12480 161.1
[M+CH3COO]- 224.14045 186.2
[M+Na-2H]- 186.10127 142.5
[M]+ 165.12605 135.4
[M]- 165.12715 135.4
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.