CID 79769766

N-(cyclobutylmethyl)-1-methyl-1h-pyrazol-4-amine dihydrochloride

Structural Information

Molecular Formula
C9H15N3
SMILES
CN1C=C(C=N1)NCC2CCC2
InChI
InChI=1S/C9H15N3/c1-12-7-9(6-11-12)10-5-8-3-2-4-8/h6-8,10H,2-5H2,1H3
InChIKey
TXQLCEBLMJSPLT-UHFFFAOYSA-N
Compound name
N-(cyclobutylmethyl)-1-methylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.13388 133.8
[M+Na]+ 188.11582 139.4
[M-H]- 164.11932 137.5
[M+NH4]+ 183.16042 146.8
[M+K]+ 204.08976 140.5
[M+H-H2O]+ 148.12386 120.9
[M+HCOO]- 210.12480 155.7
[M+CH3COO]- 224.14045 184.2
[M+Na-2H]- 186.10127 138.8
[M]+ 165.12605 140.8
[M]- 165.12715 140.8
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

No patent data available for this compound.