CID 27703

Niagara 11637

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1(CCC2=C(O1)C(=CC=C2)OC(=O)NC)C
InChI
InChI=1S/C13H17NO3/c1-13(2)8-7-9-5-4-6-10(11(9)17-13)16-12(15)14-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKey
XAMLYVOKCFEFDG-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3,4-dihydrochromen-8-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 151.8
[M+Na]+ 258.11007 159.0
[M-H]- 234.11357 157.0
[M+NH4]+ 253.15467 171.4
[M+K]+ 274.08401 158.5
[M+H-H2O]+ 218.11811 145.9
[M+HCOO]- 280.11905 172.0
[M+CH3COO]- 294.13470 193.1
[M+Na-2H]- 256.09552 159.0
[M]+ 235.12030 152.9
[M]- 235.12140 152.9
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