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]+ 224.13936 151.4
[M+Na]+ 246.12130 157.8
[M-H]- 222.12480 154.6
[M+NH4]+ 241.16590 168.8
[M+K]+ 262.09524 156.2
[M+H-H2O]+ 206.12934 145.0
[M+HCOO]- 268.13028 175.1
[M+CH3COO]- 282.14593 196.1
[M+Na-2H]- 244.10675 155.3
[M]+ 223.13153 149.2
[M]- 223.13263 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