CID 16216774

937372-03-7

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)N)N

InChI

InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,12-13H2,1-3H3,(H,14,15)

InChIKey

XPZXNVNKACXWFX-UHFFFAOYSA-N

Compound name

tert-butyl N-(3,4-diaminophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.13208 Da
Monoisotopic Mass: 1.1
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]+	224.13936	151.5
[M+Na]+	246.12130	159.7
[M+NH4]+	241.16590	157.7
[M+K]+	262.09524	156.3
[M-H]-	222.12480	153.1
[M+Na-2H]-	244.10675	155.7
[M]+	223.13153	152.7
[M]-	223.13263	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe