CID 14891903

Tert-butyl 3,4-diaminobenzoate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)N
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,12-13H2,1-3H3
InChIKey
PSXWMTJULZJDAI-UHFFFAOYSA-N
Compound name
tert-butyl 3,4-diaminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 147.4
[M+Na]+ 231.110408 154.6
[M-H]- 207.113914 150.7
[M+NH4]+ 226.155013 165.8
[M+K]+ 247.084348 153.0
[M+H-H2O]+ 191.118450 141.6
[M+HCOO]- 253.119391 170.2
[M+CH3COO]- 267.135041 191.4
[M+Na-2H]- 229.095856 151.0
[M]+ 208.12064142 146.1
[M]- 208.12173858 146.1
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