CID 22462813

2-phenylhydrazinecarboxylate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC=C(C=C1)NNC(=O)O

InChI

InChI=1S/C7H8N2O2/c10-7(11)9-8-6-4-2-1-3-5-6/h1-5,8-9H,(H,10,11)

InChIKey

POJYSQCMDUIYSB-UHFFFAOYSA-N

Compound name

anilinocarbamic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 125
Patents: 152.05858 Da
Monoisotopic Mass: 0.8
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]+	153.065856	128.5
[M+Na]+	175.047798	134.5
[M-H]-	151.051304	130.9
[M+NH4]+	170.092403	148.0
[M+K]+	191.021738	133.0
[M+H-H2O]+	135.055840	122.4
[M+HCOO]-	197.056781	153.9
[M+CH3COO]-	211.072431	175.9
[M+Na-2H]-	173.033246	136.6
[M]+	152.05803142	125.6
[M]-	152.05912858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe