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 140.2
[M+Na]+ 190.13146 147.8
[M-H]- 166.13496 140.1
[M+NH4]+ 185.17606 159.5
[M+K]+ 206.10540 145.4
[M+H-H2O]+ 150.13950 133.7
[M+HCOO]- 212.14044 160.9
[M+CH3COO]- 226.15609 179.8
[M+Na-2H]- 188.11691 145.8
[M]+ 167.14169 139.0
[M]- 167.14279 139.0
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.