CID 6492154

956372-59-1

Structural Information

Molecular Formula
C9H17N3
SMILES
CC1=C(C(=NN1C)C)CCCN
InChI
InChI=1S/C9H17N3/c1-7-9(5-4-6-10)8(2)12(3)11-7/h4-6,10H2,1-3H3
InChIKey
YOGPVQTVMDIBCK-UHFFFAOYSA-N
Compound name
3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.14224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.149516 138.5
[M+Na]+ 190.131458 147.9
[M-H]- 166.134964 139.6
[M+NH4]+ 185.176063 158.7
[M+K]+ 206.105398 145.6
[M+H-H2O]+ 150.139500 131.7
[M+HCOO]- 212.140441 161.6
[M+CH3COO]- 226.156091 184.4
[M+Na-2H]- 188.116906 141.5
[M]+ 167.14169142 139.6
[M]- 167.14278858 139.6
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.