CID 44236865

1232137-17-5

Structural Information

Molecular Formula
C9H17N3
SMILES
CC(C)(C)C1=NNC(=C1)CNC
InChI
InChI=1S/C9H17N3/c1-9(2,3)8-5-7(6-10-4)11-12-8/h5,10H,6H2,1-4H3,(H,11,12)
InChIKey
MYYUMKAFXSOSGU-UHFFFAOYSA-N
Compound name
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.14224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.14952 139.0
[M+Na]+ 190.13146 148.6
[M+NH4]+ 185.17606 146.1
[M+K]+ 206.10540 145.5
[M-H]- 166.13496 138.8
[M+Na-2H]- 188.11691 143.6
[M]+ 167.14169 140.0
[M]- 167.14279 140.0
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.