CID 65221380

3-methyl-2-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}butan-1-amine

Structural Information

Molecular Formula
C11H17N5
SMILES
CC1=NN2C(=NN=C2C(CN)C(C)C)C=C1
InChI
InChI=1S/C11H17N5/c1-7(2)9(6-12)11-14-13-10-5-4-8(3)15-16(10)11/h4-5,7,9H,6,12H2,1-3H3
InChIKey
SMRDOKICZMJILV-UHFFFAOYSA-N
Compound name
3-methyl-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14839 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.155666 151.6
[M+Na]+ 242.137608 161.1
[M-H]- 218.141114 151.2
[M+NH4]+ 237.182213 167.4
[M+K]+ 258.111548 157.8
[M+H-H2O]+ 202.145650 142.8
[M+HCOO]- 264.146591 170.7
[M+CH3COO]- 278.162241 193.8
[M+Na-2H]- 240.123056 155.9
[M]+ 219.14784142 153.2
[M]- 219.14893858 153.2
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.