CID 28808654

{1-methyl-1h,4h,5h,6h-cyclopenta[c]pyrazol-3-yl}methanamine

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C2=C(CCC2)C(=N1)CN
InChI
InChI=1S/C8H13N3/c1-11-8-4-2-3-6(8)7(5-9)10-11/h2-5,9H2,1H3
InChIKey
XHKAMZIANVTROM-UHFFFAOYSA-N
Compound name
(1-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

151.11095 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 132.2
[M+Na]+ 174.10017 141.2
[M-H]- 150.10367 134.0
[M+NH4]+ 169.14477 155.2
[M+K]+ 190.07411 139.1
[M+H-H2O]+ 134.10821 125.6
[M+HCOO]- 196.10915 154.9
[M+CH3COO]- 210.12480 178.3
[M+Na-2H]- 172.08562 135.9
[M]+ 151.11040 130.7
[M]- 151.11150 130.7
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