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: 2
Patents: 235.12085 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.128126	151.8
[M+Na]+	258.110068	159.0
[M-H]-	234.113574	157.0
[M+NH4]+	253.154673	171.4
[M+K]+	274.084008	158.5
[M+H-H2O]+	218.118110	145.9
[M+HCOO]-	280.119051	172.0
[M+CH3COO]-	294.134701	193.1
[M+Na-2H]-	256.095516	159.0
[M]+	235.12030142	152.9
[M]-	235.12139858	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe