CID 59418677

Schembl595225

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)OCCO
InChI
InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-10-11-4-6-12(7-5-11)18-9-8-16/h4-7,16H,8-10H2,1-3H3,(H,15,17)
InChIKey
RGQGDJFVOUKIHP-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(2-hydroxyethoxy)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.14706 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 163.0
[M+Na]+ 290.13628 168.3
[M-H]- 266.13978 165.0
[M+NH4]+ 285.18088 178.8
[M+K]+ 306.11022 166.9
[M+H-H2O]+ 250.14432 156.5
[M+HCOO]- 312.14526 184.0
[M+CH3COO]- 326.16091 196.4
[M+Na-2H]- 288.12173 167.3
[M]+ 267.14651 166.2
[M]- 267.14761 166.2
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