CID 7175814

[(1-ethyl-5-methyl-1h-pyrazol-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C8H15N3
SMILES
CCN1C(=C(C=N1)CNC)C
InChI
InChI=1S/C8H15N3/c1-4-11-7(2)8(5-9-3)6-10-11/h6,9H,4-5H2,1-3H3
InChIKey
PGEMPURRTUBTRN-UHFFFAOYSA-N
Compound name
1-(1-ethyl-5-methylpyrazol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

153.1266 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.13388 133.7
[M+Na]+ 176.11582 142.5
[M-H]- 152.11932 135.0
[M+NH4]+ 171.16042 154.3
[M+K]+ 192.08976 140.9
[M+H-H2O]+ 136.12386 126.6
[M+HCOO]- 198.12480 157.7
[M+CH3COO]- 212.14045 180.9
[M+Na-2H]- 174.10127 139.0
[M]+ 153.12605 135.0
[M]- 153.12715 135.0
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