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]+ 182.16518 143.2
[M+Na]+ 204.14712 151.1
[M-H]- 180.15062 143.6
[M+NH4]+ 199.19172 162.4
[M+K]+ 220.12106 148.6
[M+H-H2O]+ 164.15516 135.7
[M+HCOO]- 226.15610 165.9
[M+CH3COO]- 240.17175 186.2
[M+Na-2H]- 202.13257 146.3
[M]+ 181.15735 144.2
[M]- 181.15845 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.