CID 365823

Nsc633898

Structural Information

Molecular Formula
C11H17NO
SMILES
CC#CCCC1CCCCNC1=O
InChI
InChI=1S/C11H17NO/c1-2-3-4-7-10-8-5-6-9-12-11(10)13/h10H,4-9H2,1H3,(H,12,13)
InChIKey
YCJQOEYBEOZSQI-UHFFFAOYSA-N
Compound name
3-pent-3-ynylazepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 134.6
[M+Na]+ 202.12023 140.0
[M-H]- 178.12373 134.5
[M+NH4]+ 197.16483 149.4
[M+K]+ 218.09417 139.6
[M+H-H2O]+ 162.12827 123.0
[M+HCOO]- 224.12921 146.4
[M+CH3COO]- 238.14486 188.6
[M+Na-2H]- 200.10568 137.2
[M]+ 179.13046 122.9
[M]- 179.13156 122.9
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

No patent data available for this compound.