CID 2535078

956387-06-7

Structural Information

Molecular Formula
C9H11N3S
SMILES
CC1=C(SC=C1)CN2C(=CC=N2)N
InChI
InChI=1S/C9H11N3S/c1-7-3-5-13-8(7)6-12-9(10)2-4-11-12/h2-5H,6,10H2,1H3
InChIKey
HGJOWZGJGPNKFF-UHFFFAOYSA-N
Compound name
2-[(3-methylthiophen-2-yl)methyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.06737 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07465 140.1
[M+Na]+ 216.05659 152.1
[M+NH4]+ 211.10119 149.0
[M+K]+ 232.03053 147.4
[M-H]- 192.06009 143.4
[M+Na-2H]- 214.04204 147.1
[M]+ 193.06682 143.1
[M]- 193.06792 143.1
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.