CID 4349298

149499-66-1

Structural Information

Molecular Formula
C11H17N
SMILES
CCCNC(C)C1=CC=CC=C1
InChI
InChI=1S/C11H17N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKey
MQOWUQJOBIHPPR-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

163.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.143376 137.7
[M+Na]+ 186.125318 143.2
[M-H]- 162.128824 140.9
[M+NH4]+ 181.169923 158.1
[M+K]+ 202.099258 141.2
[M+H-H2O]+ 146.133360 131.6
[M+HCOO]- 208.134301 161.7
[M+CH3COO]- 222.149951 183.1
[M+Na-2H]- 184.110766 143.9
[M]+ 163.13555142 137.0
[M]- 163.13664858 137.0
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