CID 22929641

Dimethyl[(1h-pyrazol-4-yl)methyl]amine dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
CN(C)CC1=CNN=C1
InChI
InChI=1S/C6H11N3/c1-9(2)5-6-3-7-8-4-6/h3-4H,5H2,1-2H3,(H,7,8)
InChIKey
ZRRJOIZUONRZAO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(1H-pyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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 125.4
[M+Na]+ 148.08452 132.9
[M-H]- 124.08802 126.4
[M+NH4]+ 143.12912 146.4
[M+K]+ 164.05846 132.3
[M+H-H2O]+ 108.09256 118.1
[M+HCOO]- 170.09350 149.1
[M+CH3COO]- 184.10915 173.4
[M+Na-2H]- 146.06997 132.0
[M]+ 125.09475 124.5
[M]- 125.09585 124.5
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