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]+ 150.10257 127.3
[M+Na]+ 172.08451 139.0
[M-H]- 148.08801 128.3
[M+NH4]+ 167.12911 146.2
[M+K]+ 188.05845 137.0
[M+H-H2O]+ 132.09255 113.9
[M+HCOO]- 194.09349 146.6
[M+CH3COO]- 208.10914 191.0
[M+Na-2H]- 170.06996 131.6
[M]+ 149.09474 124.3
[M]- 149.09584 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