CID 7018269

(r)-(-)-1-indanyl isocyanate

Structural Information

Molecular Formula
C10H9NO
SMILES
C1CC2=CC=CC=C2[C@@H]1N=C=O
InChI
InChI=1S/C10H9NO/c12-7-11-10-6-5-8-3-1-2-4-9(8)10/h1-4,10H,5-6H2/t10-/m1/s1
InChIKey
XUEHOPNFOYAYTA-SNVBAGLBSA-N
Compound name
(1R)-1-isocyanato-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

237
Patents

159.06842 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.3
[M+Na]+ 182.057638 138.8
[M-H]- 158.061144 136.3
[M+NH4]+ 177.102243 154.5
[M+K]+ 198.031578 136.3
[M+H-H2O]+ 142.065680 124.6
[M+HCOO]- 204.066621 157.0
[M+CH3COO]- 218.082271 180.2
[M+Na-2H]- 180.043086 137.9
[M]+ 159.06787142 130.1
[M]- 159.06896858 130.1
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

patents stripe