CID 13792877

113619-01-5

Structural Information

Molecular Formula
C8H11N3
SMILES
CC1=C(C(=NN1C)C)CC#N
InChI
InChI=1S/C8H11N3/c1-6-8(4-5-9)7(2)11(3)10-6/h4H2,1-3H3
InChIKey
AHCMSQAKHJTWGG-UHFFFAOYSA-N
Compound name
2-(1,3,5-trimethylpyrazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

149.09529 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 127.3
[M+Na]+ 172.084508 139.0
[M-H]- 148.088014 128.3
[M+NH4]+ 167.129113 146.2
[M+K]+ 188.058448 137.0
[M+H-H2O]+ 132.092550 113.9
[M+HCOO]- 194.093491 146.6
[M+CH3COO]- 208.109141 191.0
[M+Na-2H]- 170.069956 131.6
[M]+ 149.09474142 124.3
[M]- 149.09583858 124.3
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