CID 83679454

1-methyl-1h,4h,5h,6h,7h,8h-pyrazolo[4,3-c]azepine

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C2=C(CNCCC2)C=N1
InChI
InChI=1S/C8H13N3/c1-11-8-3-2-4-9-5-7(8)6-10-11/h6,9H,2-5H2,1H3
InChIKey
KWEVSQUHBXYCKQ-UHFFFAOYSA-N
Compound name
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,3-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

151.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.11823 130.1
[M+Na]+ 174.10017 139.4
[M+NH4]+ 169.14477 137.6
[M+K]+ 190.07411 137.0
[M-H]- 150.10367 130.1
[M+Na-2H]- 172.08562 134.8
[M]+ 151.11040 131.2
[M]- 151.11150 131.2
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