CID 12689792

4,4,6,6-tetramethylazepan-2-one

Structural Information

Molecular Formula
C10H19NO
SMILES
CC1(CC(=O)NCC(C1)(C)C)C
InChI
InChI=1S/C10H19NO/c1-9(2)5-8(12)11-7-10(3,4)6-9/h5-7H2,1-4H3,(H,11,12)
InChIKey
KXBTYHZXWFDVKV-UHFFFAOYSA-N
Compound name
4,4,6,6-tetramethylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.14667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 132.0
[M+Na]+ 192.135888 137.5
[M-H]- 168.139394 134.1
[M+NH4]+ 187.180493 153.1
[M+K]+ 208.109828 139.1
[M+H-H2O]+ 152.143930 127.4
[M+HCOO]- 214.144871 148.8
[M+CH3COO]- 228.160521 180.2
[M+Na-2H]- 190.121336 137.1
[M]+ 169.14612142 125.7
[M]- 169.14721858 125.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe