CID 121018

1-isopropyl-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=NN(C(=C1)N)C(C)C
InChI
InChI=1S/C7H13N3/c1-5(2)10-7(8)4-6(3)9-10/h4-5H,8H2,1-3H3
InChIKey
OCSWHADWFJTNAZ-UHFFFAOYSA-N
Compound name
5-methyl-2-propan-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

186
Patents

139.11095 Da
Monoisotopic Mass

1.0
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

literature stripe

Patent stripe

patents stripe