CID 213974

27445-19-8

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1(CC2=C(C1)C(=CC=C2)OC(=O)NC)C
InChI
InChI=1S/C13H17NO2/c1-13(2)7-9-5-4-6-11(10(9)8-13)16-12(15)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKey
KPBGZJBRWUVQCZ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dihydroinden-4-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]+ 220.13321 149.1
[M+Na]+ 242.11515 157.1
[M-H]- 218.11865 153.9
[M+NH4]+ 237.15975 172.5
[M+K]+ 258.08909 154.8
[M+H-H2O]+ 202.12319 144.0
[M+HCOO]- 264.12413 172.2
[M+CH3COO]- 278.13978 190.5
[M+Na-2H]- 240.10060 153.9
[M]+ 219.12538 150.2
[M]- 219.12648 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.