CID 120173

1h-inden-5-ol, 2,3-dihydro-, methylcarbamate

Structural Information

Molecular Formula
C11H13NO2
SMILES
CNC(=O)OC1=CC2=C(CCC2)C=C1
InChI
InChI=1S/C11H13NO2/c1-12-11(13)14-10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H,12,13)
InChIKey
JOYSBFMLGYQIPE-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-5-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.09464 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.6
[M+Na]+ 214.083858 147.6
[M-H]- 190.087364 145.1
[M+NH4]+ 209.128463 162.8
[M+K]+ 230.057798 145.6
[M+H-H2O]+ 174.091900 134.8
[M+HCOO]- 236.092841 164.4
[M+CH3COO]- 250.108491 183.7
[M+Na-2H]- 212.069306 146.0
[M]+ 191.09409142 140.3
[M]- 191.09518858 140.3
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