CID 97255

1,3-propanediol, 2,2-diphenyl-, carbamate

Structural Information

Molecular Formula
C16H17NO3
SMILES
C1=CC=C(C=C1)C(CO)(COC(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C16H17NO3/c17-15(19)20-12-16(11-18,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,18H,11-12H2,(H2,17,19)
InChIKey
BXUSEVHVYZZWLZ-UHFFFAOYSA-N
Compound name
(3-hydroxy-2,2-diphenylpropyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 162.6
[M+Na]+ 294.11007 167.3
[M-H]- 270.11357 167.0
[M+NH4]+ 289.15467 176.9
[M+K]+ 310.08401 163.7
[M+H-H2O]+ 254.11811 155.0
[M+HCOO]- 316.11905 183.4
[M+CH3COO]- 330.13470 195.7
[M+Na-2H]- 292.09552 168.1
[M]+ 271.12030 161.1
[M]- 271.12140 161.1
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