CID 4420451

Decyl isocyanate

Structural Information

Molecular Formula
C11H21NO
SMILES
CCCCCCCCCCN=C=O
InChI
InChI=1S/C11H21NO/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
InChIKey
XFEWMFDVBLLXFE-UHFFFAOYSA-N
Compound name
1-isocyanatodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2525
Patents

183.16231 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 145.2
[M+Na]+ 206.15153 150.6
[M-H]- 182.15503 146.0
[M+NH4]+ 201.19613 165.7
[M+K]+ 222.12547 149.2
[M+H-H2O]+ 166.15957 139.3
[M+HCOO]- 228.16051 170.6
[M+CH3COO]- 242.17616 189.4
[M+Na-2H]- 204.13698 150.5
[M]+ 183.16176 149.5
[M]- 183.16286 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe