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[c]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]+ 194.16518 142.5
[M+Na]+ 216.14712 147.8
[M-H]- 192.15062 145.0
[M+NH4]+ 211.19172 160.7
[M+K]+ 232.12106 148.9
[M+H-H2O]+ 176.15516 134.8
[M+HCOO]- 238.15610 160.4
[M+CH3COO]- 252.17175 153.8
[M+Na-2H]- 214.13257 144.9
[M]+ 193.15735 136.4
[M]- 193.15845 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.