CID 2056783

62821-89-0

Structural Information

Molecular Formula
C8H15N3
SMILES
CC1=CC(=NN1CCCN)C
InChI
InChI=1S/C8H15N3/c1-7-6-8(2)11(10-7)5-3-4-9/h6H,3-5,9H2,1-2H3
InChIKey
AFJVVHQSOQPLOC-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

30
Patents

153.1266 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.133876 134.1
[M+Na]+ 176.115818 142.9
[M-H]- 152.119324 134.9
[M+NH4]+ 171.160423 154.4
[M+K]+ 192.089758 140.9
[M+H-H2O]+ 136.123860 127.0
[M+HCOO]- 198.124801 157.5
[M+CH3COO]- 212.140451 180.2
[M+Na-2H]- 174.101266 138.3
[M]+ 153.12605142 134.3
[M]- 153.12714858 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

literature stripe

Patent stripe

patents stripe