CID 557693

106251-09-6

Structural Information

Molecular Formula
C8H14N2
SMILES
CC(=C1C=NNC1(C)C)C
InChI
InChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5,10H,1-4H3
InChIKey
DKLRQEIICLZTQW-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4-propan-2-ylidene-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.11569 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.122966 130.3
[M+Na]+ 161.104908 138.7
[M-H]- 137.108414 130.2
[M+NH4]+ 156.149513 152.8
[M+K]+ 177.078848 136.7
[M+H-H2O]+ 121.112950 124.9
[M+HCOO]- 183.113891 149.7
[M+CH3COO]- 197.129541 171.5
[M+Na-2H]- 159.090356 134.5
[M]+ 138.11514142 127.6
[M]- 138.11623858 127.6
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