CID 282183

1,3,5,7-tetramethyl-1,3-dihydro-2h-azepin-2-one

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1C=C(C=C(N(C1=O)C)C)C
InChI
InChI=1S/C10H15NO/c1-7-5-8(2)10(12)11(4)9(3)6-7/h5-6,8H,1-4H3
InChIKey
ICBFYUMYWPGHSH-UHFFFAOYSA-N
Compound name
1,3,5,7-tetramethyl-3H-azepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

165.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 127.8
[M+Na]+ 188.10459 135.8
[M-H]- 164.10809 132.1
[M+NH4]+ 183.14919 147.0
[M+K]+ 204.07853 138.8
[M+H-H2O]+ 148.11263 122.8
[M+HCOO]- 210.11357 149.0
[M+CH3COO]- 224.12922 184.8
[M+Na-2H]- 186.09004 132.0
[M]+ 165.11482 126.4
[M]- 165.11592 126.4
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