CID 12617683

76570-54-2

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C)OC(=O)N(C)C1=CC=CC=C1O
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13(4)9-7-5-6-8-10(9)14/h5-8,14H,1-4H3
InChIKey
KJOJWSHLPKNUAO-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxyphenyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.0
[M+Na]+ 246.11007 156.6
[M-H]- 222.11357 154.0
[M+NH4]+ 241.15467 168.4
[M+K]+ 262.08401 156.4
[M+H-H2O]+ 206.11811 144.2
[M+HCOO]- 268.11905 172.1
[M+CH3COO]- 282.13470 191.7
[M+Na-2H]- 244.09552 154.7
[M]+ 223.12030 152.4
[M]- 223.12140 152.4
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.