CID 16216774

Tert-butyl n-(3,4-diaminophenyl)carbamate

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 151.4
[M+Na]+ 246.121298 157.8
[M-H]- 222.124804 154.6
[M+NH4]+ 241.165903 168.8
[M+K]+ 262.095238 156.2
[M+H-H2O]+ 206.129340 145.0
[M+HCOO]- 268.130281 175.1
[M+CH3COO]- 282.145931 196.1
[M+Na-2H]- 244.106746 155.3
[M]+ 223.13153142 149.2
[M]- 223.13262858 149.2
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

patents stripe