CID 23005637

[(1-isopropyl-3,5-dimethyl-1h-pyrazol-4-yl)methyl]amine

Structural Information

Molecular Formula
C9H17N3
SMILES
CC1=C(C(=NN1C(C)C)C)CN
InChI
InChI=1S/C9H17N3/c1-6(2)12-8(4)9(5-10)7(3)11-12/h6H,5,10H2,1-4H3
InChIKey
XHIVHOMPHCAFGV-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.14224 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.14952 139.0
[M+Na]+ 190.13146 148.1
[M-H]- 166.13496 140.2
[M+NH4]+ 185.17606 159.0
[M+K]+ 206.10540 146.3
[M+H-H2O]+ 150.13950 132.3
[M+HCOO]- 212.14044 161.1
[M+CH3COO]- 226.15609 185.3
[M+Na-2H]- 188.11691 140.8
[M]+ 167.14169 139.4
[M]- 167.14279 139.4
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.