CID 67237560

1313042-26-0

Structural Information

Molecular Formula
C12H16BrNO3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)O)Br
InChI
InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(16)14-7-8-4-5-10(15)9(13)6-8/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKey
MYAHCPVNDGLDOL-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-bromo-4-hydroxyphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

301.03137 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03865 161.2
[M+Na]+ 324.02059 171.1
[M-H]- 300.02409 166.2
[M+NH4]+ 319.06519 179.4
[M+K]+ 339.99453 160.0
[M+H-H2O]+ 284.02863 160.5
[M+HCOO]- 346.02957 179.9
[M+CH3COO]- 360.04522 198.9
[M+Na-2H]- 322.00604 166.4
[M]+ 301.03082 180.7
[M]- 301.03192 180.7
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