CID 17369

N-methylcaprolactam

Structural Information

Molecular Formula
C7H13NO
SMILES
CN1CCCCCC1=O
InChI
InChI=1S/C7H13NO/c1-8-6-4-2-3-5-7(8)9/h2-6H2,1H3
InChIKey
ZWXPDGCFMMFNRW-UHFFFAOYSA-N
Compound name
1-methylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

24831
Patents

127.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 123.9
[M+Na]+ 150.08894 133.2
[M+NH4]+ 145.13354 131.8
[M+K]+ 166.06288 129.2
[M-H]- 126.09244 125.0
[M+Na-2H]- 148.07439 129.3
[M]+ 127.09917 125.4
[M]- 127.10027 125.4
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