CID 4716566

[(4-methylphenyl)methyl](propyl)amine

Structural Information

Molecular Formula
C11H17N
SMILES
CCCNCC1=CC=C(C=C1)C
InChI
InChI=1S/C11H17N/c1-3-8-12-9-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey
KEPDRVSVMRMGCR-UHFFFAOYSA-N
Compound name
N-[(4-methylphenyl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

163.1361 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.14338 136.7
[M+Na]+ 186.12532 143.3
[M-H]- 162.12882 140.2
[M+NH4]+ 181.16992 157.5
[M+K]+ 202.09926 140.9
[M+H-H2O]+ 146.13336 130.7
[M+HCOO]- 208.13430 161.6
[M+CH3COO]- 222.14995 183.4
[M+Na-2H]- 184.11077 143.5
[M]+ 163.13555 137.0
[M]- 163.13665 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