CID 51929

73623-41-3

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)CCOC(=O)CC1=CC=C(C=C1)N
InChI
InChI=1S/C13H19NO2/c1-10(2)7-8-16-13(15)9-11-3-5-12(14)6-4-11/h3-6,10H,7-9,14H2,1-2H3
InChIKey
VBJHYWMJUDDSEE-UHFFFAOYSA-N
Compound name
3-methylbutyl 2-(4-aminophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 153.0
[M+Na]+ 244.13081 158.5
[M-H]- 220.13431 155.8
[M+NH4]+ 239.17541 170.9
[M+K]+ 260.10475 156.7
[M+H-H2O]+ 204.13885 146.4
[M+HCOO]- 266.13979 175.3
[M+CH3COO]- 280.15544 192.9
[M+Na-2H]- 242.11626 155.0
[M]+ 221.14104 153.8
[M]- 221.14214 153.8
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.