CID 67117575

2,3,6,7-tetrahydro-7-methylcyclopent[b]azepin-8(1h)-one

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1CC2=C(C1=O)NCCC=C2
InChI
InChI=1S/C10H13NO/c1-7-6-8-4-2-3-5-11-9(8)10(7)12/h2,4,7,11H,3,5-6H2,1H3
InChIKey
ILPLRBRVDMHSCS-UHFFFAOYSA-N
Compound name
7-methyl-2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

163.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 132.0
[M+Na]+ 186.088938 138.4
[M-H]- 162.092444 135.2
[M+NH4]+ 181.133543 152.4
[M+K]+ 202.062878 138.6
[M+H-H2O]+ 146.096980 126.9
[M+HCOO]- 208.097921 151.0
[M+CH3COO]- 222.113571 144.6
[M+Na-2H]- 184.074386 136.2
[M]+ 163.09917142 126.1
[M]- 163.10026858 126.1
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