CID 53495421

Tert-butyl n-(2-hydroxy-4-methylphenyl)carbamate

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC1=CC(=C(C=C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C12H17NO3/c1-8-5-6-9(10(14)7-8)13-11(15)16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15)
InChIKey
KVIREUWUDYUECY-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-hydroxy-4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

223.12085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.4
[M+Na]+ 246.11007 157.6
[M-H]- 222.11357 153.2
[M+NH4]+ 241.15467 168.4
[M+K]+ 262.08401 156.1
[M+H-H2O]+ 206.11811 144.9
[M+HCOO]- 268.11905 171.8
[M+CH3COO]- 282.13470 189.5
[M+Na-2H]- 244.09552 155.0
[M]+ 223.12030 151.8
[M]- 223.12140 151.8
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