CID 61044483

1046818-38-5

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC=C(C=C1)O
InChI
InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14(4)9-10-5-7-11(15)8-6-10/h5-8,15H,9H2,1-4H3
InChIKey
YTCDWGLUXZFVDD-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

237.13649 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.143766 154.8
[M+Na]+ 260.125708 160.9
[M-H]- 236.129214 158.5
[M+NH4]+ 255.170313 172.6
[M+K]+ 276.099648 160.5
[M+H-H2O]+ 220.133750 148.7
[M+HCOO]- 282.134691 176.5
[M+CH3COO]- 296.150341 194.7
[M+Na-2H]- 258.111156 158.8
[M]+ 237.13594142 157.5
[M]- 237.13703858 157.5
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