CID 121157

1676-47-7

Structural Information

Molecular Formula
C16H27N2O2
SMILES
CC1C=C(C=C(N(C1=O)CC[N+]2(CCOCC2)C)C)C
InChI
InChI=1S/C16H27N2O2/c1-13-11-14(2)16(19)17(15(3)12-13)5-6-18(4)7-9-20-10-8-18/h11-12,14H,5-10H2,1-4H3/q+1
InChIKey
WMOSQPGVMVGILE-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-1-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.20724 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.21452 167.6
[M+Na]+ 302.19646 179.9
[M+NH4]+ 297.24106 176.2
[M+K]+ 318.17040 173.6
[M-H]- 278.19996 172.6
[M+Na-2H]- 300.18191 173.9
[M]+ 279.20669 171.3
[M]- 279.20779 171.3
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.