CID 30075723

2227842-29-5

Structural Information

Molecular Formula
C11H16N2O
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)CCN
InChI
InChI=1S/C11H16N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKey
NKESIOZGUGEVDQ-SECBINFHSA-N
Compound name
3-amino-N-[(1R)-1-phenylethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 145.0
[M+Na]+ 215.11549 154.6
[M+NH4]+ 210.16009 152.6
[M+K]+ 231.08943 149.0
[M-H]- 191.11899 147.4
[M+Na-2H]- 213.10094 150.7
[M]+ 192.12572 146.7
[M]- 192.12682 146.7
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.