CID 137943659

2287344-96-9

Structural Information

Molecular Formula
C8H13N3
SMILES
CN1C2=C(CCCNC2)C=N1
InChI
InChI=1S/C8H13N3/c1-11-8-6-9-4-2-3-7(8)5-10-11/h5,9H,2-4,6H2,1H3
InChIKey
QLQLPALELJCBOS-UHFFFAOYSA-N
Compound name
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.118226 129.9
[M+Na]+ 174.100168 136.4
[M-H]- 150.103674 130.2
[M+NH4]+ 169.144773 148.0
[M+K]+ 190.074108 136.8
[M+H-H2O]+ 134.108210 121.6
[M+HCOO]- 196.109151 146.7
[M+CH3COO]- 210.124801 141.5
[M+Na-2H]- 172.085616 135.5
[M]+ 151.11040142 123.3
[M]- 151.11149858 123.3
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.