CID 3020090

2,2,6,6-tetramethylpiperidin-4-yl isocyanate

Structural Information

Molecular Formula
C10H18N2O
SMILES
CC1(CC(CC(N1)(C)C)N=C=O)C
InChI
InChI=1S/C10H18N2O/c1-9(2)5-8(11-7-13)6-10(3,4)12-9/h8,12H,5-6H2,1-4H3
InChIKey
DURXSPOWVBWKMA-UHFFFAOYSA-N
Compound name
4-isocyanato-2,2,6,6-tetramethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

182.1419 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.149176 138.7
[M+Na]+ 205.131118 146.2
[M-H]- 181.134624 141.1
[M+NH4]+ 200.175723 161.5
[M+K]+ 221.105058 144.6
[M+H-H2O]+ 165.139160 134.1
[M+HCOO]- 227.140101 159.1
[M+CH3COO]- 241.155751 184.1
[M+Na-2H]- 203.116566 145.0
[M]+ 182.14135142 136.0
[M]- 182.14244858 136.0
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

patents stripe