CID 66009951

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

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(C)C1=NN(C=C1N)C
InChI
InChI=1S/C7H13N3/c1-5(2)7-6(8)4-10(3)9-7/h4-5H,8H2,1-3H3
InChIKey
TXMDGZMPYSPLCV-UHFFFAOYSA-N
Compound name
1-methyl-3-propan-2-ylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

139.11095 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 130.0
[M+Na]+ 162.10017 139.1
[M-H]- 138.10367 131.2
[M+NH4]+ 157.14477 150.9
[M+K]+ 178.07411 137.8
[M+H-H2O]+ 122.10821 123.3
[M+HCOO]- 184.10915 152.8
[M+CH3COO]- 198.12480 178.0
[M+Na-2H]- 160.08562 133.6
[M]+ 139.11040 129.3
[M]- 139.11150 129.3
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