CID 22390456

1-(prop-2-yn-1-yl)azocane

Structural Information

Molecular Formula
C10H17N
SMILES
C#CCN1CCCCCCC1
InChI
InChI=1S/C10H17N/c1-2-8-11-9-6-4-3-5-7-10-11/h1H,3-10H2
InChIKey
DUOBONAOZLRZSM-UHFFFAOYSA-N
Compound name
1-prop-2-ynylazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

151.1361 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 139.3
[M+Na]+ 174.125318 144.1
[M-H]- 150.128824 139.6
[M+NH4]+ 169.169923 147.3
[M+K]+ 190.099258 143.6
[M+H-H2O]+ 134.133360 133.2
[M+HCOO]- 196.134301 145.4
[M+CH3COO]- 210.149951 223.1
[M+Na-2H]- 172.110766 140.0
[M]+ 151.13555142 135.1
[M]- 151.13664858 135.1
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.