CID 43548909

1156096-32-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

233.11642 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12370 159.5
[M+Na]+ 256.10564 167.9
[M-H]- 232.10914 162.5
[M+NH4]+ 251.15024 175.0
[M+K]+ 272.07958 166.0
[M+H-H2O]+ 216.11368 146.8
[M+HCOO]- 278.11462 178.7
[M+CH3COO]- 292.13027 206.5
[M+Na-2H]- 254.09109 162.6
[M]+ 233.11587 154.1
[M]- 233.11697 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