CID 165998476

Rac-(5ar,8as)-1,5a-dimethyl-decahydrocyclopenta[e][1,4]diazepine

Structural Information

Molecular Formula
C10H20N2
SMILES
C[C@]12CCC[C@@H]1N(CCNC2)C
InChI
InChI=1S/C10H20N2/c1-10-5-3-4-9(10)12(2)7-6-11-8-10/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKey
FUTCVJFTYNICIG-VHSXEESVSA-N
Compound name
(5aR,8aS)-1,5a-dimethyl-2,3,4,5,6,7,8,8a-octahydrocyclopenta[e][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.16264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 136.2
[M+Na]+ 191.15186 143.8
[M+NH4]+ 186.19646 145.4
[M+K]+ 207.12580 139.6
[M-H]- 167.15536 136.6
[M+Na-2H]- 189.13731 140.6
[M]+ 168.16209 137.3
[M]- 168.16319 137.3
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.