CID 56216

91340-01-1

Structural Information

Molecular Formula
C11H17NO2
SMILES
C#CCC1CCCCCC1OC(=O)N
InChI
InChI=1S/C11H17NO2/c1-2-6-9-7-4-3-5-8-10(9)14-11(12)13/h1,9-10H,3-8H2,(H2,12,13)
InChIKey
TVICDZNAJKDBNJ-UHFFFAOYSA-N
Compound name
(2-prop-2-ynylcycloheptyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 139.9
[M+Na]+ 218.11515 144.8
[M-H]- 194.11865 142.1
[M+NH4]+ 213.15975 155.4
[M+K]+ 234.08909 146.0
[M+H-H2O]+ 178.12319 129.1
[M+HCOO]- 240.12413 153.9
[M+CH3COO]- 254.13978 194.5
[M+Na-2H]- 216.10060 141.1
[M]+ 195.12538 128.6
[M]- 195.12648 128.6
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.