CID 15429162

201741-17-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

223.12085 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.128126 150.4
[M+Na]+ 246.110068 157.6
[M-H]- 222.113574 153.2
[M+NH4]+ 241.154673 168.4
[M+K]+ 262.084008 156.1
[M+H-H2O]+ 206.118110 144.9
[M+HCOO]- 268.119051 171.8
[M+CH3COO]- 282.134701 189.5
[M+Na-2H]- 244.095516 155.0
[M]+ 223.12030142 151.8
[M]- 223.12139858 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