CID 76944

3403-23-4

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)NN

InChI

InChI=1S/C14H14N2O2/c15-16-14(17)18-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)

InChIKey

LKGRPUNUHDQTJB-UHFFFAOYSA-N

Compound name

benzhydryl N-aminocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 242.10553 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.11281	154.2
[M+Na]+	265.09475	158.8
[M-H]-	241.09825	160.1
[M+NH4]+	260.13935	170.1
[M+K]+	281.06869	156.0
[M+H-H2O]+	225.10279	146.1
[M+HCOO]-	287.10373	178.7
[M+CH3COO]-	301.11938	195.0
[M+Na-2H]-	263.08020	159.6
[M]+	242.10498	151.6
[M]-	242.10608	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe