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]+ 166.133876 137.4
[M+Na]+ 188.115818 144.8
[M-H]- 164.119324 139.7
[M+NH4]+ 183.160423 156.3
[M+K]+ 204.089758 142.8
[M+H-H2O]+ 148.123860 130.6
[M+HCOO]- 210.124801 161.1
[M+CH3COO]- 224.140451 186.2
[M+Na-2H]- 186.101266 142.5
[M]+ 165.12605142 135.4
[M]- 165.12714858 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.