CID 64450211

(3-methyl-1-pentyl-1h-pyrazol-4-yl)methanamine

Structural Information

Molecular Formula
C10H19N3
SMILES
CCCCCN1C=C(C(=N1)C)CN
InChI
InChI=1S/C10H19N3/c1-3-4-5-6-13-8-10(7-11)9(2)12-13/h8H,3-7,11H2,1-2H3
InChIKey
DIBCJYZOTSEKAD-UHFFFAOYSA-N
Compound name
(3-methyl-1-pentylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.165176 143.2
[M+Na]+ 204.147118 151.1
[M-H]- 180.150624 143.6
[M+NH4]+ 199.191723 162.4
[M+K]+ 220.121058 148.6
[M+H-H2O]+ 164.155160 135.7
[M+HCOO]- 226.156101 165.9
[M+CH3COO]- 240.171751 186.2
[M+Na-2H]- 202.132566 146.3
[M]+ 181.15735142 144.2
[M]- 181.15844858 144.2
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.