CID 4712135

3-(5-methyl-1h-pyrazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=CC=NN1CCCN
InChI
InChI=1S/C7H13N3/c1-7-3-5-9-10(7)6-2-4-8/h3,5H,2,4,6,8H2,1H3
InChIKey
XSPHDDUROPJBIC-UHFFFAOYSA-N
Compound name
3-(5-methylpyrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.5
[M+Na]+ 162.10017 137.8
[M-H]- 138.10367 130.1
[M+NH4]+ 157.14477 150.0
[M+K]+ 178.07411 136.1
[M+H-H2O]+ 122.10821 122.3
[M+HCOO]- 184.10915 153.2
[M+CH3COO]- 198.12480 176.0
[M+Na-2H]- 160.08562 135.0
[M]+ 139.11040 129.0
[M]- 139.11150 129.0
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

No patent data available for this compound.