CID 28612057

Pentyl[(trimethyl-1h-pyrazol-4-yl)methyl]amine

Structural Information

Molecular Formula
C12H23N3
SMILES
CCCCCNCC1=C(N(N=C1C)C)C
InChI
InChI=1S/C12H23N3/c1-5-6-7-8-13-9-12-10(2)14-15(4)11(12)3/h13H,5-9H2,1-4H3
InChIKey
VAVYKIXDZXAFSK-UHFFFAOYSA-N
Compound name
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.19648 151.8
[M+Na]+ 232.17842 159.8
[M-H]- 208.18192 152.8
[M+NH4]+ 227.22302 170.5
[M+K]+ 248.15236 157.1
[M+H-H2O]+ 192.18646 144.3
[M+HCOO]- 254.18740 174.5
[M+CH3COO]- 268.20305 194.1
[M+Na-2H]- 230.16387 154.2
[M]+ 209.18865 154.9
[M]- 209.18975 154.9
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.