CID 83872314

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

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(CC1=CNN=C1)CN
InChI
InChI=1S/C7H13N3/c1-6(3-8)2-7-4-9-10-5-7/h4-6H,2-3,8H2,1H3,(H,9,10)
InChIKey
UKKWVPXPYWQLFF-UHFFFAOYSA-N
Compound name
2-methyl-3-(1H-pyrazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.11095 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 130.9
[M+Na]+ 162.10017 137.5
[M-H]- 138.10367 129.8
[M+NH4]+ 157.14477 150.3
[M+K]+ 178.07411 135.4
[M+H-H2O]+ 122.10821 123.7
[M+HCOO]- 184.10915 152.1
[M+CH3COO]- 198.12480 173.1
[M+Na-2H]- 160.08562 135.4
[M]+ 139.11040 127.5
[M]- 139.11150 127.5
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.