CID 4715092

3-(4-methyl-1h-pyrazol-1-yl)propan-1-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=CN(N=C1)CCCN
InChI
InChI=1S/C7H13N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKey
SRHIOMAWWIRJCB-UHFFFAOYSA-N
Compound name
3-(4-methylpyrazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.11095 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.5
[M+Na]+ 162.10017 140.1
[M+NH4]+ 157.14477 137.3
[M+K]+ 178.07411 136.1
[M-H]- 138.10367 130.3
[M+Na-2H]- 160.08562 134.9
[M]+ 139.11040 130.9
[M]- 139.11150 130.9
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

patents stripe