CID 76849231

1266357-75-8

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)CO)N
InChI
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)14-10-5-4-8(7-15)6-9(10)13/h4-6,15H,7,13H2,1-3H3,(H,14,16)
InChIKey
IOJHRQZDXCODGB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-4-(hydroxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 155.1
[M+Na]+ 261.120958 161.3
[M-H]- 237.124464 157.2
[M+NH4]+ 256.165563 171.7
[M+K]+ 277.094898 159.5
[M+H-H2O]+ 221.129000 149.0
[M+HCOO]- 283.129941 176.8
[M+CH3COO]- 297.145591 194.2
[M+Na-2H]- 259.106406 158.8
[M]+ 238.13119142 154.6
[M]- 238.13228858 154.6
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.