CID 3040678

Brn 2331760

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1(CC2=C(C1)C=C(C=C2)OC(=O)NC)C
InChI
InChI=1S/C13H17NO2/c1-13(2)7-9-4-5-11(6-10(9)8-13)16-12(15)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKey
LTQPIJILKWWUAK-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dihydroinden-5-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.1
[M+Na]+ 242.115148 157.1
[M-H]- 218.118654 153.9
[M+NH4]+ 237.159753 172.5
[M+K]+ 258.089088 154.8
[M+H-H2O]+ 202.123190 144.0
[M+HCOO]- 264.124131 172.2
[M+CH3COO]- 278.139781 190.5
[M+Na-2H]- 240.100596 153.9
[M]+ 219.12538142 150.2
[M]- 219.12647858 150.2
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.