CID 118240

Hexahydro-3,5,5-trimethyl-1h-azepine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1CC(CCNC1)(C)C
InChI
InChI=1S/C9H19N/c1-8-6-9(2,3)4-5-10-7-8/h8,10H,4-7H2,1-3H3
InChIKey
NJRGRJVSEHQKAM-UHFFFAOYSA-N
Compound name
3,5,5-trimethylazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

141.15175 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.15903 128.3
[M+Na]+ 164.14097 137.2
[M+NH4]+ 159.18557 137.6
[M+K]+ 180.11491 131.3
[M-H]- 140.14447 129.5
[M+Na-2H]- 162.12642 134.7
[M]+ 141.15120 129.9
[M]- 141.15230 129.9
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