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 138.8
[M+Na]+ 216.05659 150.5
[M-H]- 192.06009 144.4
[M+NH4]+ 211.10119 160.1
[M+K]+ 232.03053 147.0
[M+H-H2O]+ 176.06463 132.1
[M+HCOO]- 238.06557 160.8
[M+CH3COO]- 252.08122 153.4
[M+Na-2H]- 214.04204 140.1
[M]+ 193.06682 142.0
[M]- 193.06792 142.0
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.