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]+ 196.133206 139.9
[M+Na]+ 218.115148 144.8
[M-H]- 194.118654 142.1
[M+NH4]+ 213.159753 155.4
[M+K]+ 234.089088 146.0
[M+H-H2O]+ 178.123190 129.1
[M+HCOO]- 240.124131 153.9
[M+CH3COO]- 254.139781 194.5
[M+Na-2H]- 216.100596 141.1
[M]+ 195.12538142 128.6
[M]- 195.12647858 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.