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]+ 220.15567 151.6
[M+Na]+ 242.13761 161.1
[M-H]- 218.14111 151.2
[M+NH4]+ 237.18221 167.4
[M+K]+ 258.11155 157.8
[M+H-H2O]+ 202.14565 142.8
[M+HCOO]- 264.14659 170.7
[M+CH3COO]- 278.16224 193.8
[M+Na-2H]- 240.12306 155.9
[M]+ 219.14784 153.2
[M]- 219.14894 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.