CID 18929591

26429-27-6

Structural Information

Molecular Formula
C6H12N2
SMILES
CC1C=CN(N1C)C
InChI
InChI=1S/C6H12N2/c1-6-4-5-7(2)8(6)3/h4-6H,1-3H3
InChIKey
SPQYTTFCEGYURN-UHFFFAOYSA-N
Compound name
1,2,3-trimethyl-3H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

112.10005 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.107326 122.1
[M+Na]+ 135.089268 131.6
[M-H]- 111.092774 123.4
[M+NH4]+ 130.133873 144.6
[M+K]+ 151.063208 131.0
[M+H-H2O]+ 95.097310 116.0
[M+HCOO]- 157.098251 144.3
[M+CH3COO]- 171.113901 170.5
[M+Na-2H]- 133.074716 127.1
[M]+ 112.09950142 122.0
[M]- 112.10059858 122.0
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

patents stripe