CID 125449054

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

Structural Information

Molecular Formula
C10H17N3
SMILES
CC1(CC2=C(CNC1)C=NN2C)C
InChI
InChI=1S/C10H17N3/c1-10(2)4-9-8(5-11-7-10)6-12-13(9)3/h6,11H,4-5,7H2,1-3H3
InChIKey
GJSDCRGCOQJFRV-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-4,5,6,8-tetrahydropyrazolo[4,3-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.14224 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.14952 138.3
[M+Na]+ 202.13146 145.8
[M-H]- 178.13496 139.0
[M+NH4]+ 197.17606 157.5
[M+K]+ 218.10540 145.4
[M+H-H2O]+ 162.13950 130.1
[M+HCOO]- 224.14044 154.4
[M+CH3COO]- 238.15609 149.9
[M+Na-2H]- 200.11691 143.2
[M]+ 179.14169 133.0
[M]- 179.14279 133.0
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.