CID 64985324

1-(cyclobutylmethyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C8H13N3
SMILES
C1CC(C1)CN2C=C(C=N2)N
InChI
InChI=1S/C8H13N3/c9-8-4-10-11(6-8)5-7-2-1-3-7/h4,6-7H,1-3,5,9H2
InChIKey
JBCYDWWWDGLPBA-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.11095 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 130.0
[M+Na]+ 174.100168 136.0
[M-H]- 150.103674 133.4
[M+NH4]+ 169.144773 143.2
[M+K]+ 190.074108 137.0
[M+H-H2O]+ 134.108210 117.2
[M+HCOO]- 196.109151 151.6
[M+CH3COO]- 210.124801 180.6
[M+Na-2H]- 172.085616 134.5
[M]+ 151.11040142 135.7
[M]- 151.11149858 135.7
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