CID 39869194

[1-methyl-3-(propan-2-yl)-1h-pyrazol-4-yl]methanamine

Structural Information

Molecular Formula
C8H15N3
SMILES
CC(C)C1=NN(C=C1CN)C
InChI
InChI=1S/C8H15N3/c1-6(2)8-7(4-9)5-11(3)10-8/h5-6H,4,9H2,1-3H3
InChIKey
QXAWBMLPFWBBNE-UHFFFAOYSA-N
Compound name
(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 134.6
[M+Na]+ 176.11582 143.2
[M-H]- 152.11932 135.7
[M+NH4]+ 171.16042 154.9
[M+K]+ 192.08976 141.7
[M+H-H2O]+ 136.12386 127.8
[M+HCOO]- 198.12480 157.1
[M+CH3COO]- 212.14045 181.0
[M+Na-2H]- 174.10127 137.7
[M]+ 153.12605 134.3
[M]- 153.12715 134.3
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.