CID 56197

91240-09-4

Structural Information

Molecular Formula
C9H13NO2
SMILES
C#CCC1CCCC1OC(=O)N
InChI
InChI=1S/C9H13NO2/c1-2-4-7-5-3-6-8(7)12-9(10)11/h1,7-8H,3-6H2,(H2,10,11)
InChIKey
YTOAQAJXGGMIBE-UHFFFAOYSA-N
Compound name
(2-prop-2-ynylcyclopentyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 138.7
[M+Na]+ 190.08386 147.0
[M-H]- 166.08736 140.1
[M+NH4]+ 185.12846 157.9
[M+K]+ 206.05780 143.9
[M+H-H2O]+ 150.09190 127.1
[M+HCOO]- 212.09284 155.4
[M+CH3COO]- 226.10849 187.5
[M+Na-2H]- 188.06931 139.5
[M]+ 167.09409 130.7
[M]- 167.09519 130.7
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.