CID 131606532

1-(propan-2-yl)-1h,4h,5h,6h,7h,8h-cyclohepta[c]pyrazol-7-amine dihydrochloride

Structural Information

Molecular Formula
C11H19N3
SMILES
CC(C)N1C2=C(CCCC(C2)N)C=N1
InChI
InChI=1S/C11H19N3/c1-8(2)14-11-6-10(12)5-3-4-9(11)7-13-14/h7-8,10H,3-6,12H2,1-2H3
InChIKey
YFKVPSRFKPTVEP-UHFFFAOYSA-N
Compound name
1-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1579 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.165176 142.5
[M+Na]+ 216.147118 147.8
[M-H]- 192.150624 145.0
[M+NH4]+ 211.191723 160.7
[M+K]+ 232.121058 148.9
[M+H-H2O]+ 176.155160 134.8
[M+HCOO]- 238.156101 160.4
[M+CH3COO]- 252.171751 153.8
[M+Na-2H]- 214.132566 144.9
[M]+ 193.15735142 136.4
[M]- 193.15844858 136.4
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.