CID 17608819

3-[4-(propan-2-yl)phenyl]propan-1-amine

Structural Information

Molecular Formula
C12H19N
SMILES
CC(C)C1=CC=C(C=C1)CCCN
InChI
InChI=1S/C12H19N/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h5-8,10H,3-4,9,13H2,1-2H3
InChIKey
RNWADJRXWKNYLC-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

177.15175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 142.5
[M+Na]+ 200.140968 148.5
[M-H]- 176.144474 145.4
[M+NH4]+ 195.185573 162.4
[M+K]+ 216.114908 146.0
[M+H-H2O]+ 160.149010 136.5
[M+HCOO]- 222.149951 165.5
[M+CH3COO]- 236.165601 186.6
[M+Na-2H]- 198.126416 146.4
[M]+ 177.15120142 141.5
[M]- 177.15229858 141.5
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

patents stripe