CID 18545768

Tert-butyl n-(2-amino-5-cyanophenyl)carbamate

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C#N)N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-10-6-8(7-13)4-5-9(10)14/h4-6H,14H2,1-3H3,(H,15,16)
InChIKey
XHPKRHHURHVQFW-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-5-cyanophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

233.11642 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 159.5
[M+Na]+ 256.105638 167.9
[M-H]- 232.109144 162.5
[M+NH4]+ 251.150243 175.0
[M+K]+ 272.079578 166.0
[M+H-H2O]+ 216.113680 146.8
[M+HCOO]- 278.114621 178.7
[M+CH3COO]- 292.130271 206.5
[M+Na-2H]- 254.091086 162.6
[M]+ 233.11587142 154.1
[M]- 233.11696858 154.1
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