CID 572718

1257796-47-6

Structural Information

Molecular Formula
C6H11N3
SMILES
CC1=C(C(=NN1)C)CN
InChI
InChI=1S/C6H11N3/c1-4-6(3-7)5(2)9-8-4/h3,7H2,1-2H3,(H,8,9)
InChIKey
YJVZLKBKPGYLJW-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

37
Patents

125.0953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.8
[M+Na]+ 148.08452 135.0
[M-H]- 124.08802 125.6
[M+NH4]+ 143.12912 146.5
[M+K]+ 164.05846 132.6
[M+H-H2O]+ 108.09256 119.4
[M+HCOO]- 170.09350 148.3
[M+CH3COO]- 184.10915 171.5
[M+Na-2H]- 146.06997 130.5
[M]+ 125.09475 123.4
[M]- 125.09585 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe