CID 56264

91553-92-3

Structural Information

Molecular Formula
C12H19NO2
SMILES
C#CCC1CCCCCCC1OC(=O)N
InChI
InChI=1S/C12H19NO2/c1-2-7-10-8-5-3-4-6-9-11(10)15-12(13)14/h1,10-11H,3-9H2,(H2,13,14)
InChIKey
UMEKLLKXLKXVJK-UHFFFAOYSA-N
Compound name
(2-prop-2-ynylcyclooctyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.3
[M+Na]+ 232.13081 153.9
[M-H]- 208.13431 150.1
[M+NH4]+ 227.17541 156.7
[M+K]+ 248.10475 153.3
[M+H-H2O]+ 192.13885 143.3
[M+HCOO]- 254.13979 155.6
[M+CH3COO]- 268.15544 227.7
[M+Na-2H]- 230.11626 148.1
[M]+ 209.14104 145.1
[M]- 209.14214 145.1
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.