CID 551060

2h-azepin-2-one, hexahydro-1-(2-propenyl)-

Structural Information

Molecular Formula
C9H15NO
SMILES
C=CCN1CCCCCC1=O
InChI
InChI=1S/C9H15NO/c1-2-7-10-8-5-3-4-6-9(10)11/h2H,1,3-8H2
InChIKey
SDPNMKBPWRAPHY-UHFFFAOYSA-N
Compound name
1-prop-2-enylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

559
Patents

153.11537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 128.4
[M+Na]+ 176.10459 132.3
[M-H]- 152.10809 131.0
[M+NH4]+ 171.14919 146.7
[M+K]+ 192.07853 134.8
[M+H-H2O]+ 136.11263 122.5
[M+HCOO]- 198.11357 147.2
[M+CH3COO]- 212.12922 178.6
[M+Na-2H]- 174.09004 132.9
[M]+ 153.11482 122.0
[M]- 153.11592 122.0
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