CID 65462456

1-[1-(cyclobutylmethyl)-1h-pyrazol-4-yl]ethan-1-amine

Structural Information

Molecular Formula
C10H17N3
SMILES
CC(C1=CN(N=C1)CC2CCC2)N
InChI
InChI=1S/C10H17N3/c1-8(11)10-5-12-13(7-10)6-9-3-2-4-9/h5,7-9H,2-4,6,11H2,1H3
InChIKey
WXQHYPFVKUYFEG-UHFFFAOYSA-N
Compound name
1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 141.5
[M+Na]+ 202.131458 146.3
[M-H]- 178.134964 144.7
[M+NH4]+ 197.176063 153.5
[M+K]+ 218.105398 147.3
[M+H-H2O]+ 162.139500 128.3
[M+HCOO]- 224.140441 161.4
[M+CH3COO]- 238.156091 187.3
[M+Na-2H]- 200.116906 143.6
[M]+ 179.14169142 147.2
[M]- 179.14278858 147.2
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.