CID 3697774

1185341-34-7

Structural Information

Molecular Formula
C10H15N
SMILES
CCC(C1=CC=C(C=C1)C)N
InChI
InChI=1S/C10H15N/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10H,3,11H2,1-2H3
InChIKey
FWTZOQCAVLMPJE-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

77
Patents

149.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 133.2
[M+Na]+ 172.10967 140.0
[M-H]- 148.11317 136.5
[M+NH4]+ 167.15427 154.2
[M+K]+ 188.08361 138.0
[M+H-H2O]+ 132.11771 127.6
[M+HCOO]- 194.11865 156.8
[M+CH3COO]- 208.13430 180.5
[M+Na-2H]- 170.09512 138.2
[M]+ 149.11990 131.4
[M]- 149.12100 131.4
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