CID 22337080

421551-76-0

Structural Information

Molecular Formula
C14H21NO3
SMILES
CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)CO
InChI
InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-9-8-11-4-6-12(10-16)7-5-11/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKey
UDROTENLDOIPLQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

251.15215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.2
[M+Na]+ 274.14137 165.7
[M-H]- 250.14487 162.3
[M+NH4]+ 269.18597 176.7
[M+K]+ 290.11531 163.6
[M+H-H2O]+ 234.14941 154.1
[M+HCOO]- 296.15035 181.0
[M+CH3COO]- 310.16600 194.3
[M+Na-2H]- 272.12682 164.4
[M]+ 251.15160 162.0
[M]- 251.15270 162.0
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