CID 207702

Brn 2940958

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)(C)NC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI
InChI=1S/C14H18N2O2/c1-5-8-18-12-7-6-10(15)9-11(12)13(17)16-14(2,3)4/h1,6-7,9H,8,15H2,2-4H3,(H,16,17)
InChIKey
QJOZIADBKOQOMO-UHFFFAOYSA-N
Compound name
5-amino-N-tert-butyl-2-prop-2-ynoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 163.8
[M+Na]+ 269.12605 172.0
[M-H]- 245.12955 165.4
[M+NH4]+ 264.17065 178.6
[M+K]+ 285.09999 168.7
[M+H-H2O]+ 229.13409 151.5
[M+HCOO]- 291.13503 180.3
[M+CH3COO]- 305.15068 205.6
[M+Na-2H]- 267.11150 165.4
[M]+ 246.13628 158.2
[M]- 246.13738 158.2
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

No patent data available for this compound.