CID 42281904

[(1-methyl-1h-pyrazol-4-yl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CC(C)CNCC1=CN(N=C1)C
InChI
InChI=1S/C9H17N3/c1-8(2)4-10-5-9-6-11-12(3)7-9/h6-8,10H,4-5H2,1-3H3
InChIKey
SJSPCTOAIURCFH-UHFFFAOYSA-N
Compound name
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.14224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.14952 139.0
[M+Na]+ 190.13146 146.2
[M-H]- 166.13496 140.0
[M+NH4]+ 185.17606 158.7
[M+K]+ 206.10540 144.8
[M+H-H2O]+ 150.13950 131.5
[M+HCOO]- 212.14044 161.8
[M+CH3COO]- 226.15609 183.6
[M+Na-2H]- 188.11691 143.3
[M]+ 167.14169 139.7
[M]- 167.14279 139.7
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