CID 212999

25451-04-1

Structural Information

Molecular Formula
C11H17NO2
SMILES
CCC(CO)(CO)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H17NO2/c1-2-11(7-13,8-14)9-3-5-10(12)6-4-9/h3-6,13-14H,2,7-8,12H2,1H3
InChIKey
NVEAUEXGWWQRKZ-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-ethylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.9
[M+Na]+ 218.11515 151.0
[M-H]- 194.11865 145.3
[M+NH4]+ 213.15975 162.6
[M+K]+ 234.08909 147.9
[M+H-H2O]+ 178.12319 139.6
[M+HCOO]- 240.12413 165.0
[M+CH3COO]- 254.13978 182.0
[M+Na-2H]- 216.10060 150.2
[M]+ 195.12538 142.7
[M]- 195.12648 142.7
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.