CID 75227

N-vinylcaprolactam

Structural Information

Molecular Formula
C8H13NO
SMILES
C=CN1CCCCCC1=O
InChI
InChI=1S/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
InChIKey
JWYVGKFDLWWQJX-UHFFFAOYSA-N
Compound name
1-ethenylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

95
References

63907
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 127.8
[M+Na]+ 162.08894 136.9
[M+NH4]+ 157.13354 135.2
[M+K]+ 178.06288 132.6
[M-H]- 138.09244 128.6
[M+Na-2H]- 160.07439 132.8
[M]+ 139.09917 129.1
[M]- 139.10027 129.1
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