CID 83528765

116570-83-3

Structural Information

Molecular Formula
C7H13N3
SMILES
CC1=C(C(=NN1)N)C(C)C
InChI
InChI=1S/C7H13N3/c1-4(2)6-5(3)9-10-7(6)8/h4H,1-3H3,(H3,8,9,10)
InChIKey
LTUSECNCRNSSEB-UHFFFAOYSA-N
Compound name
5-methyl-4-propan-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

139.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 130.9
[M+Na]+ 162.10017 139.5
[M-H]- 138.10367 130.7
[M+NH4]+ 157.14477 151.0
[M+K]+ 178.07411 137.3
[M+H-H2O]+ 122.10821 124.4
[M+HCOO]- 184.10915 152.1
[M+CH3COO]- 198.12480 175.4
[M+Na-2H]- 160.08562 133.9
[M]+ 139.11040 128.3
[M]- 139.11150 128.3
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