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
5
Annotation Hits

99
References

59590
Patents

139.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 124.0
[M+Na]+ 162.088938 128.3
[M-H]- 138.092444 126.7
[M+NH4]+ 157.133543 142.8
[M+K]+ 178.062878 131.0
[M+H-H2O]+ 122.096980 118.3
[M+HCOO]- 184.097921 143.2
[M+CH3COO]- 198.113571 175.7
[M+Na-2H]- 160.074386 129.0
[M]+ 139.09917142 117.3
[M]- 139.10026858 117.3
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