CID 50421

Methyl 3-phenethylcarbazate

Structural Information

Molecular Formula
C10H14N2O2
SMILES
COC(=O)NNCCC1=CC=CC=C1
InChI
InChI=1S/C10H14N2O2/c1-14-10(13)12-11-8-7-9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3,(H,12,13)
InChIKey
LUROCQZMMCVXIA-UHFFFAOYSA-N
Compound name
methyl N-(2-phenylethylamino)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 142.2
[M+Na]+ 217.09475 147.4
[M-H]- 193.09825 145.5
[M+NH4]+ 212.13935 160.8
[M+K]+ 233.06869 146.1
[M+H-H2O]+ 177.10279 135.2
[M+HCOO]- 239.10373 168.1
[M+CH3COO]- 253.11938 186.8
[M+Na-2H]- 215.08020 149.2
[M]+ 194.10498 142.2
[M]- 194.10608 142.2
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

No patent data available for this compound.