CID 7010335

128593-72-6

Structural Information

Molecular Formula
C11H17N
SMILES
C[C@@H](C1=CC=CC=C1)NC(C)C
InChI
InChI=1S/C11H17N/c1-9(2)12-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-/m0/s1
InChIKey
QFUIZDLZUZDWJH-JTQLQIEISA-N
Compound name
N-[(1S)-1-phenylethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

114
Patents

163.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 138.2
[M+Na]+ 186.125318 143.4
[M-H]- 162.128824 141.5
[M+NH4]+ 181.169923 158.5
[M+K]+ 202.099258 141.9
[M+H-H2O]+ 146.133360 132.1
[M+HCOO]- 208.134301 161.1
[M+CH3COO]- 222.149951 184.0
[M+Na-2H]- 184.110766 143.1
[M]+ 163.13555142 136.8
[M]- 163.13664858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe