CID 12564269

3-(2-methylphenyl)propan-1-amine

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=CC=CC=C1CCCN
InChI
InChI=1S/C10H15N/c1-9-5-2-3-6-10(9)7-4-8-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKey
LUYOTDGHRZDHDB-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

149.12045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 132.6
[M+Na]+ 172.10967 145.2
[M+NH4]+ 167.15427 142.1
[M+K]+ 188.08361 137.7
[M-H]- 148.11317 136.2
[M+Na-2H]- 170.09512 140.2
[M]+ 149.11990 135.4
[M]- 149.12100 135.4
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